Vitas-M small molecule compound
(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[(4-methylphenyl)amino]-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 3-chl
Catalog ID
STL558179
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(c(c2)Cl)C)NC(=O)/C(=C\C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C)Nc1ccc(cc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C52H57ClN2O13 MW 953.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H57ClN2O13/c1-24-15-19-34(20-16-24)54-40-41-45(60)38-37(44(40)59)39-48(31(8)47(38)67-51(63)33-18-17-25(2)35(53)23-33)68-52(10,49(39)61)65-22-21-36(64-11)28(5)46(66-32(9)56)30(7)43(58)29(6)42(57)26(3)13-12-14-27(4)50(62)55-41/h12-23,26,28-30,36InChIKey
DSXDISLVSNGDAA-ZAYWRZOISA-NSynonyms
((7~(S)9~(Z)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl26(4methylanilino)6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)3chloro4meth
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl8((4methylphenyl)amino)16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl3chl
43915171
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(c(c2)Cl)C)NC(=O)C(=CC=C(C@@H)((C@@H)((C@H)((C@@H)((C@@H)((C@@H)((C@@H)1C)OC(=O)C)C)O)C)O)C)C)Nc1ccc(cc1)C
InChI=1SC52H57ClN2O13c124151934(201624)54404145(60)3837(44(40)59)3948(31(8)47(38)6751(63)33181725(2)35(53)2333)6852(1049(39)61)65222136(6411)28(5)46(6632(9)56)30(7)43(58)29(6)42(57)26(3)13121427(4)50(62)5541h122326283036424346545758H111H3(H5562)b1312
ZINC000254485092
Check stock
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Check stock on Vitas-MAvailable files
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