Vitas-M small molecule compound
methyl 6-tert-butyl-2-({[2-(5-chlorothiophen-2-yl)quinolin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK427337
SMILES COC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccc(s2)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 C28H27ClN2O3S2 MW 539.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O3S2/c1-28(2,3)15-9-10-17-22(13-15)36-26(24(17)27(33)34-4)31-25(32)18-14-20(21-11-12-23(29)35-21)30-19-8-6-5-7-16(18)19/h5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,31,32)InChIKey
SMJLQAUVNMKGOC-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl
InChI=1SC28H27ClN2O3S2c128(23)159101722(1315)3626(24(17)27(33)344)3125(32)181420(21111223(29)3521)3019865716(18)19h5811121415H91013H214H3(H3132)
methyl6tertbutyl2(((2(5chlorothiophen2yl)quinolin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((2(5chlorothiophen2yl)quinoline4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01344865
ZINC000002737390
ZINC000002737391
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