Vitas-M small molecule compound
(4Z)-5-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-4-(3,4,5-trimethoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK072658
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2ccccc2)CSc2ccc(cc2)Cl)cc(c1OC)OC
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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 C26H23ClN2O4S MW 495.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O4S/c1-31-23-14-17(15-24(32-2)25(23)33-3)13-21-22(16-34-20-11-9-18(27)10-12-20)28-29(26(21)30)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3/b21-13-InChIKey
FOMQHARGWKIWQE-BKUYFWCQSA-NSynonyms
(4Z)5(((4CHLOROPHENYL)SULFANYL)METHYL)2PHENYL4(345TRIMETHOXYBENZYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)5((4CHLOROPHENYL)SULFANYLMETHYL)2PHENYL4((345TRIMETHOXYPHENYL)METHYLIDENE)PYRAZOL3ONE
COC1=CC(=CC(=C1OC)OC)C=C2C(=NN(C2=O)C3=CC=CC=C3)CSC4=CC=C(C=C4)Cl
COc1cc(C=C2C(=NN(C2=O)c2ccccc2)CSc2ccc(cc2)Cl)cc(c1OC)OC
InChI=1SC26H23ClN2O4Sc131231417(1524(322)25(23)333)132122(16342011918(27)101220)2829(26(21)30)197546819h415H16H213H3b2113
MFCD08679368
STK072658
ZINC000013898863
ZINC13898863
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