Vitas-M small molecule compound
(4Z)-4-[4-(benzyloxy)benzylidene]-5-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK025918
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1ccc(cc1)OCc1ccccc1)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 C30H23ClN2O2S MW 511.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23ClN2O2S/c31-24-13-17-27(18-14-24)36-21-29-28(30(34)33(32-29)25-9-5-2-6-10-25)19-22-11-15-26(16-12-22)35-20-23-7-3-1-4-8-23/h1-19H,20-21H2/b28-19-InChIKey
DDRYTWCPKGARDY-USHMODERSA-NSynonyms
(4Z)4(4(BENZYLOXY)BENZYLIDENE)5(((4CHLOROPHENYL)SULFANYL)METHYL)2PHENYL24DIHYDRO3HPYRAZOL3ONE
(4Z)5((4CHLOROPHENYL)SULFANYLMETHYL)2PHENYL4((4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRAZOL3ONE
C1=CC=C(C=C1)COC2=CC=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=Cc1ccc(cc1)OCc1ccccc1)c1ccccc1
InChI=1SC30H23ClN2O2Sc3124131727(181424)36212928(30(34)33(3229)2595261025)1922111526(161222)3520237314823h119H2021H2b2819
MFCD03032652
STK025918
ZINC000013940624
ZINC13940624
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