Vitas-M small molecule compound
(4E)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenyl-4-{2-[4-(phenylcarbonyl)phenyl]hydrazinylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK074427
SMILES O=C1N(N=C(/C/1=N\Nc1ccc(cc1)C(=O)c1ccccc1)c1ccccc1)c1scc(n1)C(C)(C)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 C29H25N5O2S MW 507.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O2S/c1-29(2,3)23-18-37-28(30-23)34-27(36)25(24(33-34)19-10-6-4-7-11-19)32-31-22-16-14-21(15-17-22)26(35)20-12-8-5-9-13-20/h4-18,31H,1-3H3/b32-25+InChIKey
TZYSXMFNRQCLCY-WGPBWIAQSA-NSynonyms
(4E)2(4TERTBUTYL13THIAZOL2YL)5PHENYL4(2(4(PHENYLCARBONYL)PHENYL)HYDRAZINYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4E)4((4BENZOYLPHENYL)HYDRAZINYLIDENE)2(4TERTBUTYL13THIAZOL2YL)5PHENYLPYRAZOL3ONE
CC(C)(C)C1=CSC(=N1)N2C(=O)C(=NNC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C(=N2)C5=CC=CC=C5
InChI=1SC29H25N5O2Sc129(23)23183728(3023)3427(36)25(24(3334)19106471119)323122161421(151722)26(35)20128591320h41831H13H3b3225+
MFCD01127152
O=C1N(N=C(C1=NNc1ccc(cc1)C(=O)c1ccccc1)c1ccccc1)c1scc(n1)C(C)(C)C
STK074427
ZINC000009659641
ZINC101474470
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