Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[4-(2-hydroxyethyl)piperazin-1-yl]ethylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL446599
SMILES OCCN1CCN(CC1)/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 C24H25N5O2S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O2S/c1-17(28-13-11-27(12-14-28)15-16-30)21-22(18-7-3-2-4-8-18)26-29(23(21)31)24-25-19-9-5-6-10-20(19)32-24/h2-10,30H,11-16H2,1H3/b21-17-InChIKey
NYQZRNXZTVDKNH-FXBPSFAMSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1(4(2hydroxyethyl)piperazin1yl)ethylidene)5phenyl24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4(1(4(2HYDROXYETHYL)PIPERAZIN1YL)ETHYLIDENE)5PHENYLPYRAZOL3ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)N5CCN(CC5)CCO
InChI=1SC24H25N5O2Sc117(28131127(121428)151630)2122(187324818)2629(23(21)31)2425199561020(19)3224h21030H1116H21H3b2117
MFCD06240661
OCCN1CCN(CC1)C(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)C
ZINC000025176767
ZINC25176767
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