Vitas-M small molecule compound
6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(2-hydroxy-4-methylquinolin-7-yl)hexanamide
Catalog ID
STL547893
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)Nc2ccc3c(c2)nc(cc3C)O)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 C37H42N4O7 MW 654.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N4O7/c1-21-17-34(45)41-30-19-24(11-12-25(21)30)40-33(44)9-7-6-8-16-38-29-15-13-26-27(20-31(29)43)28(39-22(2)42)14-10-23-18-32(46-3)36(47-4)37(48-5)35(23)26/h11-13,15,17-20,28H,6-10,14,16H2,1-5H3,(H,38,43)(H,39,42)(H,40,44)(H,41,45)/t28-/m0/InChIKey
IAWBRLMDCVRHKJ-NDEPHWFRSA-NSynonyms
121541128
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4methyl2oxo1~(H)quinolin7yl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2hydroxy4methylquinolin7yl)hexanamide
InChI=1SC37H42N4O7c1211734(45)41301924(111225(21)30)4033(44)976816382915132627(2031(29)43)28(3922(2)42)1410231832(463)36(474)37(485)35(23)26h111315172028H6101416H215H3(H3843)(H3942)(H4044)(H4145)t28m0s1
ZINC000263585387
ZINC263585387
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