Vitas-M small molecule compound
2-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-nitrobenzenesulfonate
Catalog ID
STK011377
SMILES CC1=NN(C(=O)/C/1=C\c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
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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 C23H17N3O6S MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O6S/c1-16-19(23(27)25(24-16)18-10-3-2-4-11-18)15-17-9-5-7-13-21(17)32-33(30,31)22-14-8-6-12-20(22)26(28)29/h2-15H,1H3/b19-15-InChIKey
HTEHMKVROSVSIK-CYVLTUHYSA-NSynonyms
(2((Z)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)PHENYL)2NITROBENZENESULFONATE
2((Z)(3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENYL2NITROBENZENESULFONATE
CC1=NN(C(=O)C1=Cc1ccccc1OS(=O)(=O)c1ccccc1(N+)(=O)(O))c1ccccc1
CC1=NN(C(=O)C1=CC2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3(N+)(=O)(O))C4=CC=CC=C4
InChI=1SC23H17N3O6Sc11619(23(27)25(2416)18103241118)15179571321(17)3233(3031)2214861220(22)26(28)29h215H1H3b1915
MFCD02121217
STK011377
ZINC000012350101
ZINC12350101
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