Vitas-M small molecule compound
methyl 2-({(2E)-2-cyano-3-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]prop-2-enoyl}amino)-5-(propan-2-yl)thiophene-3-carboxylate
Catalog ID
STK470194
SMILES N#C/C(=C\c1c[nH]nc1c1ccc(cc1)F)/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 C22H19FN4O3S MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN4O3S/c1-12(2)18-9-17(22(29)30-3)21(31-18)26-20(28)14(10-24)8-15-11-25-27-19(15)13-4-6-16(23)7-5-13/h4-9,11-12H,1-3H3,(H,25,27)(H,26,28)/b14-8+InChIKey
QHWHGCJVWISHHN-RIYZIHGNSA-NSynonyms
CC(C)C1=CC(=C(S1)NC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)F)C#N)C(=O)OC
InChI=1SC22H19FN4O3Sc112(2)18917(22(29)303)21(3118)2620(28)14(1024)81511252719(15)134616(23)7513h491112H13H3(H2527)(H2628)b148+
methyl2(((2E)2cyano3(3(4fluorophenyl)1Hpyrazol4yl)prop2enoyl)amino)5(propan2yl)thiophene3carboxylate
methyl2(((E)2cyano3(5(4fluorophenyl)1Hpyrazol4yl)prop2enoyl)amino)5propan2ylthiophene3carboxylate
METHYL2((2E)2CYANO3(3(4FLUOROPHENYL)PYRAZOL4YL)PROP2ENOYLAMINO)5(METHYLETHYL)THIOPHENE3CARBOXYLATE
MFCD07031660
N#CC(=Cc1c(nH)nc1c1ccc(cc1)F)C(=O)Nc1sc(cc1C(=O)OC)C(C)C
ZINC000017102174
ZINC17102174
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