Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclohexylamino)methylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL170451
SMILES O=C1N(N=C(/C/1=C\NC1CCCCC1)c1ccccc1)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 C23H22N4OS MW 402.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4OS/c28-22-18(15-24-17-11-5-2-6-12-17)21(16-9-3-1-4-10-16)26-27(22)23-25-19-13-7-8-14-20(19)29-23/h1,3-4,7-10,13-15,17,24H,2,5-6,11-12H2/b18-15+InChIKey
ZDMRWKXIRDINGV-OBGWFSINSA-NSynonyms
337474-77-8(4E)2(13benzothiazol2yl)4((cyclohexylamino)methylidene)5phenyl24dihydro3Hpyrazol3one
(4E)2(13benzothiazol2yl)4((cyclohexylamino)methylidene)5phenylpyrazol3one
2(13BENZOTHIAZOL2YL)4((CYCLOHEXYLAMINO)METHYLENE)5PHENYL24DIHYDRO3HPYRAZOL3ONE
337474778
C1CCC(CC1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5
InChI=1SC23H22N4OSc282218(152417115261217)21(1693141016)2627(22)23251913781420(19)2923h13471013151724H2561112H2b1815+
MFCD01243338
O=C1N(N=C(C1=CNC1CCCCC1)c1ccccc1)c1nc2c(s1)cccc2
ZINC000102436336
ZINC102436336
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