Vitas-M small molecule compound
ethyl (2E)-3-[5-(2-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]but-2-enoate
Catalog ID
STK838595
SMILES CCOC(=O)/C=C(/N1N=C(CC1c1ccccc1[N+](=O)[O-])c1ccccc1)\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 C21H21N3O4 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4/c1-3-28-21(25)13-15(2)23-20(17-11-7-8-12-19(17)24(26)27)14-18(22-23)16-9-5-4-6-10-16/h4-13,20H,3,14H2,1-2H3/b15-13+InChIKey
QVKCNXXBVTZUHG-FYWRMAATSA-NSynonyms
(E)ethyl3(5(2nitrophenyl)3phenyl45dihydro1Hpyrazol1yl)but2enoate
3(5(2NITROPHENYL)3PHENYL45DIHYDROPYRAZOL1YL)BUT2ENOICACIDETHYL
CCOC(=O)C=C(C)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3(N+)(=O)(O)
CCOC(=O)C=C(N1N=C(CC1c1ccccc1(N+)(=O)(O))c1ccccc1)C
ETHYL(2E)3(5(2NITROPHENYL)3PHENYL(2PYRAZOLINYL))BUT2ENOATE
ethyl(2E)3(5(2nitrophenyl)3phenyl45dihydro1Hpyrazol1yl)but2enoate
ETHYL(E)3(3(2NITROPHENYL)5PHENYL34DIHYDROPYRAZOL2YL)BUT2ENOATE
InChI=1SC21H21N3O4c132821(25)1315(2)2320(1711781219(17)24(26)27)1418(2223)1695461016h41320H314H212H3b1513+
MFCD01050831
ZINC000000820319
ZINC000000820322
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