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-(1H-pyrrol-1-yl)phenyl]butanamide
Catalog ID
STL540495
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2cccc(c2)n2cccc2)NC(=O)C)cc(c1OC)OC
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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 C35H38N4O6 MW 610.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H38N4O6/c1-22(40)37-28-14-12-23-19-31(43-2)34(44-3)35(45-4)33(23)26-13-15-29(30(41)21-27(26)28)36-16-8-11-32(42)38-24-9-7-10-25(20-24)39-17-5-6-18-39/h5-7,9-10,13,15,17-21,28H,8,11-12,14,16H2,1-4H3,(H,36,41)(H,37,40)(H,38,42)/t28-/m0/s1InChIKey
DTOBVFGFVSMZAC-NDEPHWFRSA-NSynonyms
1574392-35-0(S)N(3(1Hpyrrol1yl)phenyl)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamide
1574392350
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3pyrrol1ylphenyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(1Hpyrrol1yl)phenyl)butanamide
75491072
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2cccc(c2)n2cccc2)NC(=O)C)cc(c1OC)OC
InChI=1SC35H38N4O6c122(40)37281412231931(432)34(443)35(454)33(23)26131529(30(41)2127(26)28)361681132(42)3824971025(2024)3917561839h579101315172128H811121416H214H3(H3641)(H3740)(H3842)t28m0s1
ZINC000108447607
ZINC108447607
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.