Vitas-M small molecule compound
methyl 2-{[(2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinolin-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK776305
SMILES COC(=O)c1c(NC(=O)C2=C(C)NC3=C(C2c2ccccc2)C(=O)CC(C3)(C)C)sc2c1CCCC2
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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 C29H32N2O4S MW 504.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O4S/c1-16-22(26(33)31-27-24(28(34)35-4)18-12-8-9-13-21(18)36-27)23(17-10-6-5-7-11-17)25-19(30-16)14-29(2,3)15-20(25)32/h5-7,10-11,23,30H,8-9,12-15H2,1-4H3,(H,31,33)InChIKey
ZPPWTXRFDNPDNM-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC
InChI=1SC29H32N2O4Sc11622(26(33)312724(28(34)354)1812891321(18)3627)23(17106571117)2519(3016)1429(23)1520(25)32h5710112330H891215H214H3(H3133)
methyl2(((277trimethyl5oxo4phenyl145678hexahydroquinolin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((277trimethyl5oxo4phenyl1468tetrahydroquinoline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05258783
ZINC000012402814
ZINC000019858033
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