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 4-met
Catalog ID
STL558180
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(cc2)OC)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 C52H58N2O14 MW 935.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H58N2O14/c1-25-15-19-34(20-16-25)53-40-41-45(59)38-37(44(40)58)39-48(31(7)47(38)67-51(62)33-17-21-35(63-10)22-18-33)68-52(9,49(39)60)65-24-23-36(64-11)28(4)46(66-32(8)55)30(6)43(57)29(5)42(56)26(2)13-12-14-27(3)50(61)54-41/h12-24,26,28-30,36,4InChIKey
BXWBVXSFPDIRKQ-AVIUOOIPSA-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)4methoxybenz
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl8((4methylphenyl)amino)16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl4met
43915173
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2)OC)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=1SC52H58N2O14c125151934(201625)53404145(59)3837(44(40)58)3948(31(7)47(38)6751(62)33172135(6310)221833)6852(949(39)60)65242336(6411)28(4)46(6632(8)55)30(6)43(57)29(5)42(56)26(2)13121427(3)50(61)5441h122426283036424346535657H111H3(H5461)b13122423
ZINC000254869196
Check stock
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Check stock on Vitas-MAvailable files
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