Vitas-M small molecule compound

dimethyl 5-{[(2E)-3-(3-chlorophenyl)prop-2-enoyl]amino}-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK468013
SMILES COC(=O)c1c(NC(=O)/C=C/c2cccc(c2)Cl)sc(c1C)C(=O)OC

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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 C18H16ClNO5S MW 393.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClNO5S/c1-10-14(17(22)24-2)16(26-15(10)18(23)25-3)20-13(21)8-7-11-5-4-6-12(19)9-11/h4-9H,1-3H3,(H,20,21)/b8-7+
InChIKey
SNBWCUHUJYWAJG-BQYQJAHWSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC2=CC(=CC=C2)Cl)C(=O)OC
COC(=O)c1c(NC(=O)C=Cc2cccc(c2)Cl)sc(c1C)C(=O)OC
dimethyl5(((2E)3(3chlorophenyl)prop2enoyl)amino)3methylthiophene24dicarboxylate
DIMETHYL5(((E)3(3CHLOROPHENYL)PROP2ENOYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC18H16ClNO5Sc11014(17(22)242)16(2615(10)18(23)253)2013(21)871154612(19)911h49H13H3(H2021)b87+
METHYL2((2E)3(3CHLOROPHENYL)PROP2ENOYLAMINO)5(METHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03363582
ZINC000006254229
ZINC06254229
ZINC6254229

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Available files

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