Vitas-M small molecule compound
methyl 2-{[(2E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoyl]amino}-5-carbamoyl-4-methylthiophene-3-carboxylate
Catalog ID
STK434880
SMILES N#C/C(=C\c1ccc(s1)Br)/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N
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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 C16H12BrN3O4S2 MW 454.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrN3O4S2/c1-7-11(16(23)24-2)15(26-12(7)13(19)21)20-14(22)8(6-18)5-9-3-4-10(17)25-9/h3-5H,1-2H3,(H2,19,21)(H,20,22)/b8-5+InChIKey
AYJPVDYDHCIZNZ-VMPITWQZSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=C(S2)Br)C#N)C(=O)N
InChI=1SC16H12BrN3O4S2c1711(16(23)242)15(2612(7)13(19)21)2014(22)8(618)593410(17)259h35H12H3(H21921)(H2022)b85+
methyl2(((2E)3(5bromothiophen2yl)2cyanoprop2enoyl)amino)5carbamoyl4methylthiophene3carboxylate
METHYL2(((E)3(5BROMOTHIOPHEN2YL)2CYANOPROP2ENOYL)AMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)3(5BROMO(2THIENYL))2CYANOPROP2ENOYLAMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
MFCD03942858
N#CC(=Cc1ccc(s1)Br)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N
ZINC000020294887
ZINC20294887
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