Vitas-M small molecule compound
(2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide
Catalog ID
STL308213
SMILES COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)/C=N/NC(=S)Nc1ccccc1
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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 C21H22N6O3S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O3S/c1-14-20(27(28)29)15(2)26(25-14)13-17-11-16(9-10-19(17)30-3)12-22-24-21(31)23-18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H2,23,24,31)/b22-12+InChIKey
XOOMBJRRBDCCSN-WSDLNYQXSA-NSynonyms
955866-34-9(((1E)2(3((35DIMETHYL4NITROPYRAZOLYL)METHYL)4METHOXYPHENYL)1AZAVINYL)AMINO)(PHENYLAMINO)METHANE1THIONE
(2E)2(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxybenzylidene)Nphenylhydrazinecarbothioamide
(E)2(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxybenzylidene)Nphenylhydrazinecarbothioamide
1((E)(3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)4METHOXYPHENYL)METHYLIDENEAMINO)3PHENYLTHIOUREA
955866349
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=S)NC3=CC=CC=C3)OC)C)(N+)(=O)(O)
COc1ccc(cc1Cn1nc(c(c1C)(N+)(=O)(O))C)C=NNC(=S)Nc1ccccc1
InChI=1SC21H22N6O3Sc11420(27(28)29)15(2)26(2514)13171116(91019(17)303)12222421(31)23187546818h412H13H213H3(H2232431)b2212+
MFCD03554887
ZINC000001085641
ZINC33301851
Check stock
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