Vitas-M small molecule compound
(4Z)-4-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK821347
SMILES COc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)C)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 C34H27N5O4S MW 601.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27N5O4S/c1-23-13-16-28(17-14-23)44-22-30-29(34(40)38(35-30)27-11-7-4-8-12-27)19-25-21-37(26-9-5-3-6-10-26)36-33(25)24-15-18-32(43-2)31(20-24)39(41)42/h3-21H,22H2,1-2H3/b29-19-InChIKey
PAIIDZJSPYAJKC-CEUNXORHSA-NSynonyms
(4Z)4((3(4methoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)5(((4methylphenyl)sulfanyl)methyl)2phenyl24dihydro3Hpyrazol3one
(4Z)4((3(4methoxy3nitrophenyl)1phenylpyrazol4yl)methylidene)5((4methylphenyl)sulfanylmethyl)2phenylpyrazol3one
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=CN(N=C3C4=CC(=C(C=C4)OC)(N+)(=O)(O))C5=CC=CC=C5)C6=CC=CC=C6
COc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)C)c1ccccc1
InChI=1SC34H27N5O4Sc123131628(171423)44223029(34(40)38(3530)27117481227)19252137(2695361026)3633(25)24151832(432)31(2024)39(41)42h321H22H212H3b2919
MFCD03462720
ZINC000101330279
ZINC101330279
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