Vitas-M small molecule compound
4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]butanamide
Catalog ID
STL548096
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2[nH]nc(n2)CCc2ccccc2)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 C35H40N6O6 MW 640.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N6O6/c1-21(42)37-26-15-13-23-19-29(45-2)33(46-3)34(47-4)32(23)24-14-16-27(28(43)20-25(24)26)36-18-8-11-31(44)39-35-38-30(40-41-35)17-12-22-9-6-5-7-10-22/h5-7,9-10,14,16,19-20,26H,8,11-13,15,17-18H2,1-4H3,(H,36,43)(H,37,42)(H2,38,39,40,41,44InChIKey
YFOODXPNHMNCNE-UHFFFAOYSA-NSynonyms
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5phenethyl1H124triazol3yl)butanamide
122169474
4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(2phenylethyl)1H124triazol5yl)butanamide
4((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(2phenylethyl)1~(H)124triazol3yl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2n(nH)c(n2)CCc2ccccc2)NC(=O)C)cc(c1OC)OC
InChI=1SC35H40N6O6c121(42)37261513231929(452)33(463)34(474)32(23)24141627(28(43)2025(24)26)361881131(44)39353830(404135)17122296571022h579101416192026H81113151718H214H3(H3643)(H3742)(H23839404144)
MFCD31756689
ZINC000253414685
ZINC000409413992
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.