Vitas-M small molecule compound
methyl 2-({[4-(4-ethylphenyl)-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
STK776137
SMILES CCc1ccc(cc1)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 C31H36N2O4S MW 532.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2O4S/c1-6-18-11-13-19(14-12-18)25-24(17(2)32-21-15-31(3,4)16-22(34)27(21)25)28(35)33-29-26(30(36)37-5)20-9-7-8-10-23(20)38-29/h11-14,25,32H,6-10,15-16H2,1-5H3,(H,33,35)InChIKey
LRVAENVXVNJJKV-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)C
InChI=1SC31H36N2O4Sc1618111319(141218)2524(17(2)32211531(34)1622(34)27(21)25)28(35)332926(30(36)375)209781023(20)3829h11142532H6101516H215H3(H3335)
methyl2(((4(4ethylphenyl)277trimethyl5oxo145678hexahydroquinolin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4(4ethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05258551
ZINC000012413273
ZINC000012413275
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