Vitas-M small molecule compound
methyl 2-({(2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-5-(propan-2-yl)thiophene-3-carboxylate
Catalog ID
STK472675
SMILES N#C/C(=C\c1ccc(o1)c1cccc(c1)Cl)/C(=O)Nc1sc(cc1C(=O)OC)C(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 C23H19ClN2O4S MW 454.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN2O4S/c1-13(2)20-11-18(23(28)29-3)22(31-20)26-21(27)15(12-25)10-17-7-8-19(30-17)14-5-4-6-16(24)9-14/h4-11,13H,1-3H3,(H,26,27)/b15-10+InChIKey
CTOXOIKAGFABMP-XNTDXEJSSA-NSynonyms
CC(C)C1=CC(=C(S1)NC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)Cl)C#N)C(=O)OC
InChI=1SC23H19ClN2O4Sc113(2)201118(23(28)293)22(3120)2621(27)15(1225)10177819(3017)1454616(24)914h41113H13H3(H2627)b1510+
methyl2(((2E)3(5(3chlorophenyl)furan2yl)2cyanoprop2enoyl)amino)5(propan2yl)thiophene3carboxylate
methyl2(((E)3(5(3chlorophenyl)furan2yl)2cyanoprop2enoyl)amino)5propan2ylthiophene3carboxylate
METHYL2((2E)3(5(3CHLOROPHENYL)(2FURYL))2CYANOPROP2ENOYLAMINO)5(METHYLETHYL)THIOPHENE3CARBOXYLATE
MFCD07093523
N#CC(=Cc1ccc(o1)c1cccc(c1)Cl)C(=O)Nc1sc(cc1C(=O)OC)C(C)C
ZINC000020550088
ZINC20550088
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