Vitas-M small molecule compound
methyl 6-tert-butyl-2-({[2-(3-chlorophenyl)-3-methylquinolin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK422640
SMILES COC(=O)c1c(NC(=O)c2c(C)c(nc3c2cccc3)c2cccc(c2)Cl)sc2c1CCC(C2)C(C)(C)C
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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 C31H31ClN2O3S MW 547.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31ClN2O3S/c1-17-25(21-11-6-7-12-23(21)33-27(17)18-9-8-10-20(32)15-18)28(35)34-29-26(30(36)37-5)22-14-13-19(31(2,3)4)16-24(22)38-29/h6-12,15,19H,13-14,16H2,1-5H3,(H,34,35)InChIKey
CHXWQIHZILSHIT-UHFFFAOYSA-NSynonyms
CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)OC
InChI=1SC31H31ClN2O3Sc11725(2111671223(21)3327(17)18981020(32)1518)28(35)342926(30(36)375)22141319(31(23)4)1624(22)3829h6121519H131416H215H3(H3435)
methyl6tertbutyl2(((2(3chlorophenyl)3methylquinolin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((2(3chlorophenyl)3methylquinoline4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02177224
ZINC000002768173
ZINC000002768174
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