Vitas-M small molecule compound
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK064915
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1ccc2c(c1)OCO2)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 C24H17ClN2O3S MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClN2O3S/c25-17-7-9-19(10-8-17)31-14-21-20(12-16-6-11-22-23(13-16)30-15-29-22)24(28)27(26-21)18-4-2-1-3-5-18/h1-13H,14-15H2/b20-12-InChIKey
ZSIVTCVLIIINDV-NDENLUEZSA-NSynonyms
(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)5(((4CHLOROPHENYL)SULFANYL)METHYL)2PHENYL24DIHYDRO3HPYRAZOL3ONE
(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)5((4CHLOROPHENYL)SULFANYLMETHYL)2PHENYLPYRAZOL3ONE
C1OC2=C(O1)C=C(C=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)Cl
Clc1ccc(cc1)SCC1=NN(C(=O)C1=Cc1ccc2c(c1)OCO2)c1ccccc1
InChI=1SC24H17ClN2O3Sc25177919(10817)31142120(12166112223(1316)30152922)24(28)27(2621)184213518h113H1415H2b2012
MFCD08051717
STK064915
ZINC000009553816
ZINC09553816
ZINC9553816
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