Vitas-M small molecule compound
(5Z)-2-(4-benzylpiperazin-1-yl)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Catalog ID
STK823320
SMILES COc1ccc(cc1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)c1ccccc1
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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 C31H29N5O2S MW 535.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N5O2S/c1-38-27-14-12-24(13-15-27)29-25(22-36(33-29)26-10-6-3-7-11-26)20-28-30(37)32-31(39-28)35-18-16-34(17-19-35)21-23-8-4-2-5-9-23/h2-15,20,22H,16-19,21H2,1H3/b28-20-InChIKey
JFSFUNQVJVSAGE-RRAHZORUSA-NSynonyms
(5Z)2(4benzylpiperazin1yl)5((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(4benzylpiperazin1yl)5((3(4methoxyphenyl)1phenylpyrazol4yl)methylidene)13thiazol4one
COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6
COc1ccc(cc1)c1nn(cc1C=C1SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)c1ccccc1
InChI=1SC31H29N5O2Sc13827141224(131527)2925(2236(3329)26106371126)202830(37)3231(3928)35181634(171935)21238425923h2152022H161921H21H3b2820
MFCD03463844
ZINC000097947156
ZINC97947156
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