Vitas-M small molecule compound
(4Z)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK070673
SMILES COc1ccc(cc1)CCN/C(=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])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 C21H22N4O4 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4/c1-14(22-13-12-16-4-10-19(29-3)11-5-16)20-15(2)23-24(21(20)26)17-6-8-18(9-7-17)25(27)28/h4-11,22H,12-13H2,1-3H3/b20-14-InChIKey
OAABIPRXFFTFIE-ZHZULCJRSA-NSynonyms
(4Z)4(1((2(4METHOXYPHENYL)ETHYL)AMINO)ETHYLIDENE)5METHYL2(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)4(1(2(4METHOXYPHENYL)ETHYLAMINO)ETHYLIDENE)5METHYL2(4NITROPHENYL)PYRAZOL3ONE
CC1=NN(C(=O)C1=C(C)NCCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)(N+)(=O)(O)
COc1ccc(cc1)CCNC(=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C)C
InChI=1SC21H22N4O4c114(2213121641019(293)11516)2015(2)2324(21(20)26)176818(9717)25(27)28h41122H1213H213H3b2014
MFCD03034157
STK070673
ZINC000101469805
ZINC101469805
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