Vitas-M small molecule compound
methyl 2-({(2E)-2-cyano-3-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoyl}amino)-5-propylthiophene-3-carboxylate
Catalog ID
STK434566
SMILES CCCc1cc(c(s1)NC(=O)/C(=C/c1c[nH]nc1c1ccc(cc1)OC)/C#N)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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-4-5-18-11-19(23(29)31-3)22(32-18)26-21(28)15(12-24)10-16-13-25-27-20(16)14-6-8-17(30-2)9-7-14/h6-11,13H,4-5H2,1-3H3,(H,25,27)(H,26,28)/b15-10+InChIKey
RGUZNSWONVQJRG-XNTDXEJSSA-NSynonyms
CCCC1=CC(=C(S1)NC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)OC)C#N)C(=O)OC
CCCc1cc(c(s1)NC(=O)C(=Cc1c(nH)nc1c1ccc(cc1)OC)C#N)C(=O)OC
InChI=1SC23H22N4O4Sc145181119(23(29)313)22(3218)2621(28)15(1224)101613252720(16)146817(302)9714h61113H45H213H3(H2527)(H2628)b1510+
methyl2(((2E)2cyano3(3(4methoxyphenyl)1Hpyrazol4yl)prop2enoyl)amino)5propylthiophene3carboxylate
METHYL2(((E)2CYANO3(5(4METHOXYPHENYL)1HPYRAZOL4YL)PROP2ENOYL)AMINO)5PROPYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)2CYANO3(3(4METHOXYPHENYL)PYRAZOL4YL)PROP2ENOYLAMINO)5PROPYLTHIOPHENE3CARBOXYLATE
MFCD03942785
ZINC000005919329
ZINC05919329
ZINC5919329
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