Vitas-M small molecule compound
(5Z)-3-cyclohexyl-5-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzylidene}-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Catalog ID
STL403987
SMILES COc1ccc(cc1Cn1ccc(n1)[N+](=O)[O-])/C=C/1\N=C(N(C1=O)C1CCCCC1)S
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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 C21H23N5O4S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4S/c1-30-18-8-7-14(11-15(18)13-24-10-9-19(23-24)26(28)29)12-17-20(27)25(21(31)22-17)16-5-3-2-4-6-16/h7-12,16H,2-6,13H2,1H3,(H,22,31)/b17-12-InChIKey
NTMOSCJWVKNQGU-ATVHPVEESA-NSynonyms
1005591-71-8(5Z)3cyclohexyl5((4methoxy3((3nitropyrazol1yl)methyl)phenyl)methylidene)2sulfanylideneimidazolidin4one
(5Z)3cyclohexyl5(4methoxy3((3nitro1Hpyrazol1yl)methyl)benzylidene)2sulfanyl35dihydro4Himidazol4one
1005591718
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)N2)C3CCCCC3)CN4C=CC(=N4)(N+)(=O)(O)
COc1ccc(cc1Cn1ccc(n1)(N+)(=O)(O))C=C1N=C(N(C1=O)C1CCCCC1)S
InChI=1SC21H23N5O4Sc130188714(1115(18)132410919(2324)26(28)29)121720(27)25(21(31)2217)165324616h71216H2613H21H3(H2231)b1712
MFCD04130664
ZINC000002793477
ZINC2793477
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