Vitas-M small molecule compound
1,3-dimethyl-5-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL367460
SMILES [O-][N+](=O)c1cc2c(cc1Sc1nnc(n1C)c1ccccc1)n(c(=O)n2C)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 C18H16N6O3S MW 396.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N6O3S/c1-21-12-9-14(24(26)27)15(10-13(12)22(2)18(21)25)28-17-20-19-16(23(17)3)11-7-5-4-6-8-11/h4-10H,1-3H3InChIKey
DFDRXCBGLSZPKR-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc2c(cc1Sc1nnc(n1C)c1ccccc1)n(c(=O)n2C)C
13dimethyl5((4methyl5phenyl124triazol3yl)sulfanyl)6nitrobenzimidazol2one
13dimethyl5((4methyl5phenyl4H124triazol3yl)sulfanyl)6nitro13dihydro2Hbenzimidazol2one
CN1C2=CC(=C(C=C2N(C1=O)C)SC3=NN=C(N3C)C4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC18H16N6O3Sc12112914(24(26)27)15(1013(12)22(2)18(21)25)2817201916(23(17)3)117546811h410H13H3
MFCD28951807
ZINC000098086280
ZINC98086280
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