Vitas-M small molecule compound

(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-hydroxyethyl)amino]ethylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK392617
SMILES OCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/C

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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 C20H18N4O2S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S/c1-13(21-11-12-25)17-18(14-7-3-2-4-8-14)23-24(19(17)26)20-22-15-9-5-6-10-16(15)27-20/h2-10,21,25H,11-12H2,1H3/b17-13-
InChIKey
DKOVRYJKBXGOBS-LGMDPLHJSA-N
Synonyms

(4Z)2(13BENZOTHIAZOL2YL)4(1((2HYDROXYETHYL)AMINO)ETHYLIDENE)5PHENYL24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)4(1(2HYDROXYETHYLAMINO)ETHYLIDENE)5PHENYLPYRAZOL3ONE
1(13BENZOTHIAZOL2YL)4((1E)N(2HYDROXYETHYL)ETHANIMIDOYL)3PHENYL1HPYRAZOL5OL
2(13BENZOTHIAZOL2YL)4((1Z)N(2HYDROXYETHYL)ETHANIMIDOYL)5PHENYL12DIHYDRO3HPYRAZOL3ONE
4((1Z)4HYDROXY1METHYL2AZABUT1ENYL)1BENZOTHIAZOL2YL3PHENYL3PYRAZOLIN5ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)NCCO
InChI=1SC20H18N4O2Sc113(21111225)1718(147324814)2324(19(17)26)2022159561016(15)2720h2102125H1112H21H3b1713
MFCD02208456
OCCNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)C
ZINC000017136160
ZINC17136160

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Available files

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