Vitas-M small molecule compound
methyl 6-tert-butyl-2-[({2-[2-(propan-2-yloxy)phenyl]quinolin-4-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK422547
SMILES COC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccccc2OC(C)C)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 C33H36N2O4S MW 556.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O4S/c1-19(2)39-27-14-10-8-12-22(27)26-18-24(21-11-7-9-13-25(21)34-26)30(36)35-31-29(32(37)38-6)23-16-15-20(33(3,4)5)17-28(23)40-31/h7-14,18-20H,15-17H2,1-6H3,(H,35,36)InChIKey
IRWQEKGUKWKZRL-UHFFFAOYSA-NSynonyms
CC(C)OC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)OC
InChI=1SC33H36N2O4Sc119(2)3927141081222(27)261824(2111791325(21)3426)30(36)353129(32(37)386)23161520(33(34)5)1728(23)4031h7141820H1517H216H3(H3536)
methyl6tertbutyl2(((2(2(propan2yloxy)phenyl)quinolin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((2(2propan2yloxyphenyl)quinoline4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02177181
ZINC000002768182
ZINC000002768183
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