Vitas-M small molecule compound
methyl 2-({[4-(2,5-dimethoxyphenyl)-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
STK683458
SMILES COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2)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 C31H36N2O6S MW 564.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2O6S/c1-16-24(28(35)33-29-26(30(36)39-6)18-9-7-8-10-23(18)40-29)25(19-13-17(37-4)11-12-22(19)38-5)27-20(32-16)14-31(2,3)15-21(27)34/h11-13,25,32H,7-10,14-15H2,1-6H3,(H,33,35)InChIKey
CYKJNOYVZRTFEJ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC(=C3)OC)OC)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC
InChI=1SC31H36N2O6Sc11624(28(35)332926(30(36)396)189781023(18)4029)25(191317(374)111222(19)385)2720(3216)1431(23)1521(27)34h11132532H7101415H216H3(H3335)
methyl2(((4(25dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinolin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4(25dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05257883
ZINC000001422458
ZINC000004391409
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