Vitas-M small molecule compound

ethyl 4-(4-chlorophenyl)-5-methyl-2-({[2-(3-propoxyphenyl)quinolin-4-yl]carbonyl}amino)thiophene-3-carboxylate

Catalog ID
STK422340
SMILES CCCOc1cccc(c1)c1nc2ccccc2c(c1)C(=O)Nc1sc(c(c1C(=O)OCC)c1ccc(cc1)Cl)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 C33H29ClN2O4S MW 585.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29ClN2O4S/c1-4-17-40-24-10-8-9-22(18-24)28-19-26(25-11-6-7-12-27(25)35-28)31(37)36-32-30(33(38)39-5-2)29(20(3)41-32)21-13-15-23(34)16-14-21/h6-16,18-19H,4-5,17H2,1-3H3,(H,36,37)
InChIKey
JALVDQZAPVIIAY-UHFFFAOYSA-N
Synonyms

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)Cl)C(=O)OCC
ethyl4(4chlorophenyl)5methyl2(((2(3propoxyphenyl)quinolin4yl)carbonyl)amino)thiophene3carboxylate
ETHYL4(4CHLOROPHENYL)5METHYL2((2(3PROPOXYPHENYL)(4QUINOLYL))CARBONYLAMINO)THIOPHENE3CARBOXYLATE
ETHYL4(4CHLOROPHENYL)5METHYL2((2(3PROPOXYPHENYL)QUINOLINE4CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC33H29ClN2O4Sc14174024108922(1824)281926(2511671227(25)3528)31(37)363230(33(38)3952)29(20(3)4132)21131523(34)161421h6161819H4517H213H3(H3637)
MFCD02056575
ZINC000002758328
ZINC2758328

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Available files

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