Vitas-M small molecule compound

ethyl 2-{[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

Catalog ID
STK444989
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2Cl)Cl)sc(c1C)C(=O)N(CC)CC

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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 C22H24Cl2N2O4S MW 483.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24Cl2N2O4S/c1-5-26(6-2)21(28)19-13(4)18(22(29)30-7-3)20(31-19)25-17(27)11-9-14-8-10-15(23)12-16(14)24/h8-12H,5-7H2,1-4H3,(H,25,27)/b11-9+
InChIKey
CXXYVXWUFFPRPQ-PKNBQFBNSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl)C(=O)OCC)C
CCOC(=O)c1c(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc(c1C)C(=O)N(CC)CC
ethyl2(((2E)3(24dichlorophenyl)prop2enoyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
ETHYL2(((E)3(24DICHLOROPHENYL)PROP2ENOYL)AMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)3(24DICHLOROPHENYL)PROP2ENOYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((3(24DICHLOROPHENYL)ACRYLOYL)AMINO)5((DIETHYLAMINO)CARBONYL)4METHYL3THIOPHENECARBOXYLATE
InChI=1SC22H24Cl2N2O4Sc1526(62)21(28)1913(4)18(22(29)3073)20(3119)2517(27)1191481015(23)1216(14)24h812H57H214H3(H2527)b119+
MFCD01354396
ZINC000000996986
ZINC00996986
ZINC996986

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Available files

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