Vitas-M small molecule compound

methyl 6-tert-butyl-2-({[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK426970
SMILES CCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C(=O)OC)CCC(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 C32H34N2O4S MW 542.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O4S/c1-6-38-21-14-11-19(12-15-21)26-18-24(22-9-7-8-10-25(22)33-26)29(35)34-30-28(31(36)37-5)23-16-13-20(32(2,3)4)17-27(23)39-30/h7-12,14-15,18,20H,6,13,16-17H2,1-5H3,(H,34,35)
InChIKey
NSHAWVIIUIWHIY-UHFFFAOYSA-N
Synonyms

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)OC
InChI=1SC32H34N2O4Sc163821141119(121521)261824(229781025(22)3326)29(35)343028(31(36)375)23161320(32(23)4)1727(23)3930h71214151820H6131617H215H3(H3435)
methyl6tertbutyl2(((2(4ethoxyphenyl)quinolin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((2(4ethoxyphenyl)quinoline4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02174308
ZINC000002086423
ZINC000002086424

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Available files

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