Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(4-chlorophenyl)prop-2-enoyl]amino}-4-ethyl-5-methylthiophene-3-carboxylate
Catalog ID
STK445333
SMILES CCc1c(C)sc(c1C(=O)OC(C)C)NC(=O)/C=C/c1ccc(cc1)Cl
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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 C20H22ClNO3S MW 391.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClNO3S/c1-5-16-13(4)26-19(18(16)20(24)25-12(2)3)22-17(23)11-8-14-6-9-15(21)10-7-14/h6-12H,5H2,1-4H3,(H,22,23)/b11-8+InChIKey
VPDPBCJYNSXQMU-DHZHZOJOSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C=CC2=CC=C(C=C2)Cl)C
CCc1c(C)sc(c1C(=O)OC(C)C)NC(=O)C=Cc1ccc(cc1)Cl
InChI=1SC20H22ClNO3Sc151613(4)2619(18(16)20(24)2512(2)3)2217(23)118146915(21)10714h612H5H214H3(H2223)b118+
ISOPROPYL2((3(4CHLOROPHENYL)ACRYLOYL)AMINO)4ETHYL5METHYL3THIOPHENECARBOXYLATE
METHYLETHYL2((2E)3(4CHLOROPHENYL)PROP2ENOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
MFCD01342046
propan2yl2(((2E)3(4chlorophenyl)prop2enoyl)amino)4ethyl5methylthiophene3carboxylate
PROPAN2YL2(((E)3(4CHLOROPHENYL)PROP2ENOYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
ZINC000002081881
ZINC02081881
ZINC2081881
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.