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 2,2-d

Catalog ID
STL558178
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)C(C)(C)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 C49H60N2O13 MW 885.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C49H60N2O13/c1-23-17-19-31(20-18-23)50-36-37-41(56)34-33(40(36)55)35-44(29(7)43(34)63-47(59)48(9,10)11)64-49(12,45(35)57)61-22-21-32(60-13)26(4)42(62-30(8)52)28(6)39(54)27(5)38(53)24(2)15-14-16-25(3)46(58)51-37/h14-22,24,26-28,32,38-39,42,50,53-5
InChIKey
JGXWCDPVBXRRGK-OBOSVPCKSA-N
Synonyms

((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)22dimethylpr
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl8((4methylphenyl)amino)16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl22d
43915170
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)C(C)(C)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=1SC49H60N2O13c123171931(201823)50363741(56)3433(40(36)55)3544(29(7)43(34)6347(59)48(910)11)6449(1245(35)57)61222132(6013)26(4)42(6230(8)52)28(6)39(54)27(5)38(53)24(2)15141625(3)46(58)5137h142224262832383942505354H113H3(H5158)b151422212516t2426+
ZINC000254738668

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Available files

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