Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-[4-(benzyloxy)benzylidene]-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK084350
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1ccc(cc1)OCc1ccccc1)c1nc2c(s1)cccc2
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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 C31H22ClN3O2S2 MW 568.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22ClN3O2S2/c32-23-12-16-25(17-13-23)38-20-28-26(30(36)35(34-28)31-33-27-8-4-5-9-29(27)39-31)18-21-10-14-24(15-11-21)37-19-22-6-2-1-3-7-22/h1-18H,19-20H2/b26-18-InChIKey
LSPJWXGIEOQSDG-ITYLOYPMSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)4(4(BENZYLOXY)BENZYLIDENE)5(((4CHLOROPHENYL)SULFANYL)METHYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4((4phenylmethoxyphenyl)methylidene)pyrazol3one
C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C3C(=NN(C3=O)C4=NC5=CC=CC=C5S4)CSC6=CC=C(C=C6)Cl
Clc1ccc(cc1)SCC1=NN(C(=O)C1=Cc1ccc(cc1)OCc1ccccc1)c1nc2c(s1)cccc2
InChI=1SC31H22ClN3O2S2c3223121625(171323)38202826(30(36)35(3428)313327845929(27)3931)1821101424(151121)3719226213722h118H1920H2b2618
MFCD03033059
STK084350
ZINC000097959111
ZINC97959111
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