Vitas-M small molecule compound
(5Z)-2-(4-benzylpiperazin-1-yl)-5-{[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Catalog ID
STK707036
SMILES COc1cccc(c1)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/c1-38-27-14-8-11-24(19-27)29-25(22-36(33-29)26-12-6-3-7-13-26)20-28-30(37)32-31(39-28)35-17-15-34(16-18-35)21-23-9-4-2-5-10-23/h2-14,19-20,22H,15-18,21H2,1H3/b28-20-InChIKey
LOUHITLIVZHVOT-RRAHZORUSA-NSynonyms
1008881-83-1(5Z)2(4benzylpiperazin1yl)5((3(3methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(4BENZYLPIPERAZIN1YL)5((3(3METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)13THIAZOL4ONE
(Z)2(4benzylpiperazin1yl)5((3(3methoxyphenyl)1phenyl1Hpyrazol4yl)methylene)thiazol4(5H)one
1008881831
COC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6
COc1cccc(c1)c1nn(cc1C=C1SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)c1ccccc1
InChI=1SC31H29N5O2Sc138271481124(1927)2925(2236(3329)26126371326)202830(37)3231(3928)35171534(161835)212394251023h214192022H151821H21H3b2820
MFCD04007461
ZINC000101032436
ZINC101032436
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