Vitas-M small molecule compound
methyl 2-{[(2E)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK434239
SMILES N#C/C(=C\c1ccc(s1)Cl)/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(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 C18H16ClN3O4S2 MW 437.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O4S2/c1-9-13(18(25)26-4)16(28-14(9)17(24)22(2)3)21-15(23)10(8-20)7-11-5-6-12(19)27-11/h5-7H,1-4H3,(H,21,23)/b10-7+InChIKey
KFVCOWXRLHCAPC-JXMROGBWSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=C(S2)Cl)C#N)C(=O)N(C)C
InChI=1SC18H16ClN3O4S2c1913(18(25)264)16(2814(9)17(24)22(2)3)2115(23)10(820)7115612(19)2711h57H14H3(H2123)b107+
methyl2(((2E)3(5chlorothiophen2yl)2cyanoprop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(((E)3(5CHLOROTHIOPHEN2YL)2CYANOPROP2ENOYL)AMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)3(5CHLORO(2THIENYL))2CYANOPROP2ENOYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03942811
N#CC(=Cc1ccc(s1)Cl)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C
ZINC000017101786
ZINC17101786
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.