Vitas-M small molecule compound
methyl 2-({[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK426058
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)c1cc(nc2c1cc(Br)cc2)c1ccc(cc1)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 C32H33BrN2O3S MW 605.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33BrN2O3S/c1-6-18-7-13-22-27(15-18)39-30(28(22)31(37)38-5)35-29(36)24-17-26(34-25-14-12-21(33)16-23(24)25)19-8-10-20(11-9-19)32(2,3)4/h8-12,14,16-18H,6-7,13,15H2,1-5H3,(H,35,36)InChIKey
YPILMMHMSXQSIR-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC32H33BrN2O3Sc16187132227(1518)3930(28(22)31(37)385)3529(36)241726(3425141221(33)1623(24)25)1981020(11919)32(23)4h812141618H671315H215H3(H3536)
methyl2(((6bromo2(4tertbutylphenyl)quinolin4yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
methyl2((6bromo2(4tertbutylphenyl)quinoline4carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
MFCD02608424
ZINC000097948825
ZINC000097948826
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