Vitas-M small molecule compound
5-({(Z)-[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL359365
SMILES Fc1ccc(cc1)N1N=C(/C(=C/Nc2cc3[nH]c(=O)[nH]c3cc2[N+](=O)[O-])/C1=O)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 C18H13FN6O4 MW 396.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13FN6O4/c1-9-12(17(26)24(23-9)11-4-2-10(19)3-5-11)8-20-15-6-13-14(22-18(27)21-13)7-16(15)25(28)29/h2-8,20H,1H3,(H2,21,22,27)/b12-8-InChIKey
VLNVQSCPPZVTRG-WQLSENKSSA-NSynonyms
5(((Z)(1(4fluorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)6nitro13dihydro2Hbenzimidazol2one
5(((Z)(1(4fluorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)6nitro13dihydrobenzimidazol2one
CC1=NN(C(=O)C1=CNC2=C(C=C3C(=C2)NC(=O)N3)(N+)(=O)(O))C4=CC=C(C=C4)F
Fc1ccc(cc1)N1N=C(C(=CNc2cc3(nH)c(=O)(nH)c3cc2(N+)(=O)(O))C1=O)C
InChI=1SC18H13FN6O4c1912(17(26)24(239)114210(19)3511)8201561314(2218(27)2113)716(15)25(28)29h2820H1H3(H2212227)b128
MFCD28033662
ZINC000101346769
ZINC101346769
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