Vitas-M small molecule compound
1,3-dimethyl-5-[(4-methylphenyl)sulfonyl]-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL381749
SMILES Cc1ccc(cc1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])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 C16H15N3O5S MW 361.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O5S/c1-10-4-6-11(7-5-10)25(23,24)15-9-13-12(8-14(15)19(21)22)17(2)16(20)18(13)3/h4-9H,1-3H3InChIKey
TXIWKQJJVKGVFM-UHFFFAOYSA-NSynonyms
13dimethyl5((4methylphenyl)sulfonyl)6nitro13dihydro2Hbenzimidazol2one
13dimethyl5(4methylphenyl)sulfonyl6nitrobenzimidazol2one
CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)N(C(=O)N3C)C)(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)c1cc2c(cc1(N+)(=O)(O))n(c(=O)n2C)C
InChI=1SC16H15N3O5Sc1104611(7510)25(2324)1591312(814(15)19(21)22)17(2)16(20)18(13)3h49H13H3
MFCD26099004
ZINC000019816139
ZINC19816139
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