Vitas-M small molecule compound
methyl 2-({[4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK683457
SMILES COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C30H34N2O6S MW 550.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O6S/c1-15-23(27(35)32-28-25(29(36)38-5)17-8-6-7-9-22(17)39-28)24(16-10-11-19(33)21(12-16)37-4)26-18(31-15)13-30(2,3)14-20(26)34/h10-12,24,31,33H,6-9,13-14H2,1-5H3,(H,32,35)InChIKey
SCGSALZPDAJXGN-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)O)OC)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC
InChI=1SC30H34N2O6Sc11523(27(35)322825(29(36)385)17867922(17)3928)24(16101119(33)21(1216)374)2618(3115)1330(23)1420(26)34h1012243133H691314H215H3(H3235)
methyl2(((4(4hydroxy3methoxyphenyl)277trimethyl5oxo145678hexahydroquinolin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4(4hydroxy3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05257882
ZINC000001422455
ZINC000001422456
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