Vitas-M small molecule compound
(5Z)-3-butyl-5-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Catalog ID
STL395108
SMILES CCCCN1C(=N/C(=C\c2ccc(c(c2)Cn2nc(c(c2C)[N+](=O)[O-])C)OC)/C1=O)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 C21H25N5O4S MW 443.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O4S/c1-5-6-9-24-20(27)17(22-21(24)31)11-15-7-8-18(30-4)16(10-15)12-25-14(3)19(26(28)29)13(2)23-25/h7-8,10-11H,5-6,9,12H2,1-4H3,(H,22,31)/b17-11-InChIKey
JYSULGJDFIWCFI-BOPFTXTBSA-NSynonyms
1005592-36-8(5Z)3BUTYL5((3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)4METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)3BUTYL5(3((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)4METHOXYBENZYLIDENE)2SULFANYL35DIHYDRO4HIMIDAZOL4ONE
1005592368
CCCCN1C(=NC(=Cc2ccc(c(c2)Cn2nc(c(c2C)(N+)(=O)(O))C)OC)C1=O)S
CCCCN1C(=O)C(=CC2=CC(=C(C=C2)OC)CN3C(=C(C(=N3)C)(N+)(=O)(O))C)NC1=S
InChI=1SC21H25N5O4Sc15692420(27)17(2221(24)31)11157818(304)16(1015)122514(3)19(26(28)29)13(2)2325h781011H56912H214H3(H2231)b1711
MFCD04130997
ZINC000002794132
ZINC2794132
Check stock
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