Vitas-M small molecule compound
propyl 2-({[2-(4-tert-butylphenyl)quinolin-4-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK424081
SMILES CCCOC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccc(cc2)C(C)(C)C)sc2c1CCC(C2)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 C33H36N2O3S MW 540.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O3S/c1-6-17-38-32(37)29-24-16-11-20(2)18-28(24)39-31(29)35-30(36)25-19-27(34-26-10-8-7-9-23(25)26)21-12-14-22(15-13-21)33(3,4)5/h7-10,12-15,19-20H,6,11,16-18H2,1-5H3,(H,35,36)InChIKey
CRHPOEXNZIMISK-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC33H36N2O3Sc16173832(37)2924161120(2)1828(24)3931(29)3530(36)251927(34261087923(25)26)21121422(151321)33(34)5h71012151920H6111618H215H3(H3536)
MFCD01993730
propyl2(((2(4tertbutylphenyl)quinolin4yl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
propyl2((2(4tertbutylphenyl)quinoline4carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ZINC000002756557
ZINC000097946018
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