Vitas-M small molecule compound
ethyl 2-({(2E)-2-cyano-3-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoyl}amino)thiophene-3-carboxylate
Catalog ID
STK473597
SMILES CCOC(=O)c1ccsc1NC(=O)/C(=C/c1c[nH]nc1c1ccc(cc1)OC)/C#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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-3-29-21(27)17-8-9-30-20(17)24-19(26)14(11-22)10-15-12-23-25-18(15)13-4-6-16(28-2)7-5-13/h4-10,12H,3H2,1-2H3,(H,23,25)(H,24,26)/b14-10+InChIKey
NHJKATMMZGWJBA-GXDHUFHOSA-NSynonyms
CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)OC)C#N
CCOC(=O)c1ccsc1NC(=O)C(=Cc1c(nH)nc1c1ccc(cc1)OC)C#N
ethyl2(((2E)2cyano3(3(4methoxyphenyl)1Hpyrazol4yl)prop2enoyl)amino)thiophene3carboxylate
ethyl2(((E)2cyano3(5(4methoxyphenyl)1Hpyrazol4yl)prop2enoyl)amino)thiophene3carboxylate
ETHYL2((2E)2CYANO3(3(4METHOXYPHENYL)PYRAZOL4YL)PROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H18N4O4Sc132921(27)17893020(17)2419(26)14(1122)101512232518(15)134616(282)7513h41012H3H212H3(H2325)(H2426)b1410+
MFCD07093273
ZINC000017093036
ZINC17093036
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