Vitas-M small molecule compound
methyl 6-(2-methylbutan-2-yl)-2-[({2-[4-(propan-2-yloxy)phenyl]quinolin-4-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK425129
SMILES COC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccc(cc2)OC(C)C)sc2c1CCC(C2)C(CC)(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 C34H38N2O4S MW 570.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N2O4S/c1-7-34(4,5)22-14-17-25-29(18-22)41-32(30(25)33(38)39-6)36-31(37)26-19-28(35-27-11-9-8-10-24(26)27)21-12-15-23(16-13-21)40-20(2)3/h8-13,15-16,19-20,22H,7,14,17-18H2,1-6H3,(H,36,37)InChIKey
XOBHPCPDPHUPTB-UHFFFAOYSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC(C)C
InChI=1SC34H38N2O4Sc1734(45)2214172529(1822)4132(30(25)33(38)396)3631(37)261928(352711981024(26)27)21121523(161321)4020(2)3h8131516192022H7141718H216H3(H3637)
methyl6(2methylbutan2yl)2(((2(4(propan2yloxy)phenyl)quinolin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6(2methylbutan2yl)2((2(4propan2yloxyphenyl)quinoline4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02375444
ZINC000002108226
ZINC000002108228
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