Vitas-M small molecule compound
3-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK005831
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)/C=C/1\C(=NN(C1=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 C24H20N2O4S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O4S/c1-17-11-13-22(14-12-17)31(28,29)30-21-10-6-7-19(15-21)16-23-18(2)25-26(24(23)27)20-8-4-3-5-9-20/h3-16H,1-2H3/b23-16+InChIKey
AOIWDCZRHNJABF-XQNSMLJCSA-NSynonyms
(3((E)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)PHENYL)4METHYLBENZENESULFONATE
3((E)(3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENYL4METHYLBENZENESULFONATE
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C
Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC24H20N2O4Sc117111322(141217)31(2829)3021106719(1521)162318(2)2526(24(23)27)208435920h316H12H3b2316+
MFCD01422646
STK005831
ZINC000008952170
ZINC08952170
ZINC8952170
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