Vitas-M small molecule compound

methyl 4-(4-fluorophenyl)-2-({[2-(4-propoxyphenyl)quinolin-4-yl]carbonyl}amino)thiophene-3-carboxylate

Catalog ID
STK423639
SMILES CCCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Nc1scc(c1C(=O)OC)c1ccc(cc1)F

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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 C31H25FN2O4S MW 540.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25FN2O4S/c1-3-16-38-22-14-10-20(11-15-22)27-17-24(23-6-4-5-7-26(23)33-27)29(35)34-30-28(31(36)37-2)25(18-39-30)19-8-12-21(32)13-9-19/h4-15,17-18H,3,16H2,1-2H3,(H,34,35)
InChIKey
YNYIXAHAYGIWDT-UHFFFAOYSA-N
Synonyms

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)OC
InChI=1SC31H25FN2O4Sc13163822141020(111522)271724(23645726(23)3327)29(35)343028(31(36)372)25(183930)1981221(32)13919h4151718H316H212H3(H3435)
methyl4(4fluorophenyl)2(((2(4propoxyphenyl)quinolin4yl)carbonyl)amino)thiophene3carboxylate
METHYL4(4FLUOROPHENYL)2((2(4PROPOXYPHENYL)(4QUINOLYL))CARBONYLAMINO)THIOPHENE3CARBOXYLATE
METHYL4(4FLUOROPHENYL)2((2(4PROPOXYPHENYL)QUINOLINE4CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD01922757
ZINC000002753633
ZINC2753633

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Available files

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