Vitas-M small molecule compound
5-[(4-methoxyphenyl)sulfanyl]-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL432897
SMILES COc1ccc(cc1)Sc1cc2c(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 C16H15N3O4S MW 345.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O4S/c1-17-12-8-14(19(21)22)15(9-13(12)18(2)16(17)20)24-11-6-4-10(23-3)5-7-11/h4-9H,1-3H3InChIKey
YWARBHQWYJLRCX-UHFFFAOYSA-NSynonyms
5((4methoxyphenyl)sulfanyl)13dimethyl6nitro13dihydro2Hbenzimidazol2one
5(4methoxyphenyl)sulfanyl13dimethyl6nitrobenzimidazol2one
CN1C2=CC(=C(C=C2N(C1=O)C)SC3=CC=C(C=C3)OC)(N+)(=O)(O)
COc1ccc(cc1)Sc1cc2c(cc1(N+)(=O)(O))n(c(=O)n2C)C
InChI=1SC16H15N3O4Sc11712814(19(21)22)15(913(12)18(2)16(17)20)24116410(233)5711h49H13H3
MFCD09221934
ZINC000009879806
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