Vitas-M small molecule compound

4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]butanamide

Catalog ID
STL544935
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCC(=O)Nc1[nH]nc(n1)c1ccccc1OC

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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 C34H38N6O7 MW 642.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N6O7/c1-19(41)36-24-14-12-20-17-28(45-3)31(46-4)32(47-5)30(20)21-13-15-25(26(42)18-23(21)24)35-16-8-11-29(43)37-34-38-33(39-40-34)22-9-6-7-10-27(22)44-2/h6-7,9-10,13,15,17-18,24H,8,11-12,14,16H2,1-5H3,(H,35,42)(H,36,41)(H2,37,38,39,40,43)/t
InChIKey
MLKHKBNGQIHONC-DEOSSOPVSA-N
Synonyms
1630926-85-0
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5(2methoxyphenyl)1H124triazol3yl)butanamide
1630926850
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(2methoxyphenyl)1~(H)124triazol3yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(2methoxyphenyl)1H124triazol5yl)butanamide
91638273
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCCCC(=O)Nc1n(nH)c(n1)c1ccccc1OC
InChI=1SC34H38N6O7c119(41)36241412201728(453)31(464)32(475)30(20)21131525(26(42)1823(21)24)351681129(43)37343833(394034)229671027(22)442h679101315171824H811121416H215H3(H3542)(H3641)(H23738394043)t24m0s1
ZINC000217872538
ZINC217872538

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Available files

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