Vitas-M small molecule compound
(5Z)-2-(4-benzylpiperazin-1-yl)-5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Catalog ID
STK823636
SMILES Cc1ccc(c(c1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)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 C32H31N5OS MW 533.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N5OS/c1-23-13-14-24(2)28(19-23)30-26(22-37(34-30)27-11-7-4-8-12-27)20-29-31(38)33-32(39-29)36-17-15-35(16-18-36)21-25-9-5-3-6-10-25/h3-14,19-20,22H,15-18,21H2,1-2H3/b29-20-InChIKey
MHRYCLMOBCLCBU-BRPDVVIDSA-NSynonyms
(5Z)2(4benzylpiperazin1yl)5((3(25dimethylphenyl)1phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(4benzylpiperazin1yl)5((3(25dimethylphenyl)1phenylpyrazol4yl)methylidene)13thiazol4one
CC1=CC(=C(C=C1)C)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6
Cc1ccc(c(c1)c1nn(cc1C=C1SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)c1ccccc1)C
InChI=1SC32H31N5OSc123131424(2)28(1923)3026(2237(3430)27117481227)202931(38)3332(3929)36171535(161836)212595361025h314192022H151821H212H3b2920
MFCD03464136
ZINC000097947175
ZINC97947175
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