Vitas-M small molecule compound

methyl 2-({[2-(4-butoxyphenyl)quinolin-4-yl]carbonyl}amino)-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carboxylate

Catalog ID
STK426323
SMILES CCCCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Nc1sc(c(c1C(=O)OC)c1ccc(cc1)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 C36H36N2O4S MW 592.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36N2O4S/c1-6-7-20-42-27-18-16-25(17-19-27)31-21-29(28-10-8-9-11-30(28)37-31)34(39)38-35-33(36(40)41-5)32(23(4)43-35)26-14-12-24(13-15-26)22(2)3/h8-19,21-22H,6-7,20H2,1-5H3,(H,38,39)
InChIKey
QELDCVQZTUJICH-UHFFFAOYSA-N
Synonyms

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)C(C)C)C(=O)OC
InChI=1SC36H36N2O4Sc167204227181625(171927)312129(2810891130(28)3731)34(39)383533(36(40)415)32(23(4)4335)26141224(131526)22(2)3h8192122H6720H215H3(H3839)
METHYL2(((2(4BUTOXYPHENYL)4QUINOLINYL)CARBONYL)AMINO)4(4ISOPROPYLPHENYL)5METHYL3THIOPHENECARBOXYLATE
methyl2(((2(4butoxyphenyl)quinolin4yl)carbonyl)amino)5methyl4(4(propan2yl)phenyl)thiophene3carboxylate
METHYL2((2(4BUTOXYPHENYL)(4QUINOLYL))CARBONYLAMINO)5METHYL4(4(METHYLETHYL)PHENYL)THIOPHENE3CARBOXYLATE
METHYL2((2(4BUTOXYPHENYL)QUINOLINE4CARBONYL)AMINO)5METHYL4(4PROPAN2YLPHENYL)THIOPHENE3CARBOXYLATE
MFCD02244250
ZINC000002105757
ZINC02105757
ZINC2105757

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.