Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(4-phenylpiperazin-1-yl)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL482867
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(/N1CCN(CC1)c1ccccc1)\C)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 C29H26ClN5OS2 MW 560.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN5OS2/c1-20(33-15-17-34(18-16-33)22-7-3-2-4-8-22)27-25(19-37-23-13-11-21(30)12-14-23)32-35(28(27)36)29-31-24-9-5-6-10-26(24)38-29/h2-14H,15-19H2,1H3/b27-20+InChIKey
OIOFWZFQBJCCPQ-NHFJDJAPSA-NSynonyms
(4E)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(1(4phenylpiperazin1yl)ethylidene)24dihydro3Hpyrazol3one
(4E)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4(1(4phenylpiperazin1yl)ethylidene)pyrazol3one
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)N5CCN(CC5)C6=CC=CC=C6
Clc1ccc(cc1)SCC1=NN(C(=O)C1=C(N1CCN(CC1)c1ccccc1)C)c1nc2c(s1)cccc2
InChI=1SC29H26ClN5OS2c120(33151734(181633)227324822)2725(193723131121(30)121423)3235(28(27)36)2931249561026(24)3829h214H1519H21H3b2720+
MFCD30713427
ZINC000101385970
ZINC101385970
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