Vitas-M small molecule compound

propan-2-yl 2-{[(2E)-3-(2-chlorophenyl)prop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STK438322
SMILES CC(OC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc(c1C)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 C19H20ClNO3S MW 377.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClNO3S/c1-11(2)24-19(23)17-12(3)13(4)25-18(17)21-16(22)10-9-14-7-5-6-8-15(14)20/h5-11H,1-4H3,(H,21,22)/b10-9+
InChIKey
ZUYNCWRUOVIFKV-MDZDMXLPSA-N
Synonyms

CC(OC(=O)c1c(NC(=O)C=Cc2ccccc2Cl)sc(c1C)C)C
CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C=CC2=CC=CC=C2Cl)C
InChI=1SC19H20ClNO3Sc111(2)2419(23)1712(3)13(4)2518(17)2116(22)10914756815(14)20h511H14H3(H2122)b109+
ISOPROPYL2((3(2CHLOROPHENYL)ACRYLOYL)AMINO)45DIMETHYL3THIOPHENECARBOXYLATE
METHYLETHYL2((2E)3(2CHLOROPHENYL)PROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD03373876
propan2yl2(((2E)3(2chlorophenyl)prop2enoyl)amino)45dimethylthiophene3carboxylate
PROPAN2YL2(((E)3(2CHLOROPHENYL)PROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ZINC000002085999
ZINC02085999
ZINC2085999

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Available files

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