Vitas-M small molecule compound
(4Z)-5-(4-methoxyphenyl)-4-{1-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]ethylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK262056
SMILES COc1ccc(cc1)C1=NN(C(=O)/C/1=C(\NCCSCc1nc[nH]c1C)/C)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 C25H27N5O2S MW 461.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O2S/c1-17-22(28-16-27-17)15-33-14-13-26-18(2)23-24(19-9-11-21(32-3)12-10-19)29-30(25(23)31)20-7-5-4-6-8-20/h4-12,16,26H,13-15H2,1-3H3,(H,27,28)/b23-18-InChIKey
KEGXXLGLTFCQCN-NKFKGCMQSA-NSynonyms
(4Z)5(4methoxyphenyl)4(1((2(((5methyl1Himidazol4yl)methyl)sulfanyl)ethyl)amino)ethylidene)2phenyl24dihydro3Hpyrazol3one
(4Z)5(4methoxyphenyl)4(1(2((5methyl1Himidazol4yl)methylsulfanyl)ethylamino)ethylidene)2phenylpyrazol3one
(Z)3(4methoxyphenyl)4(1((2(((5methyl1Himidazol4yl)methyl)thio)ethyl)amino)ethylidene)1phenyl1Hpyrazol5(4H)one
3(4METHOXYPHENYL)4(((2((5METHYLIMIDAZOL4YL)METHYLTHIO)ETHYL)AMINO)ETHYLIDENE)1PHENYL12DIAZOLIN5ONE
CC1=C(N=CN1)CSCCNC(=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C
COc1ccc(cc1)C1=NN(C(=O)C1=C(NCCSCc1nc(nH)c1C)C)c1ccccc1
InChI=1SC25H27N5O2Sc11722(28162717)153314132618(2)2324(1991121(323)121019)2930(25(23)31)207546820h4121626H1315H213H3(H2728)b2318
MFCD07599071
ZINC000009059568
ZINC09059568
ZINC9059568
Check stock
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Check stock on Vitas-MAvailable files
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