Vitas-M small molecule compound
3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Catalog ID
STK327348
SMILES [O-][N+](=O)c1ccc2c(c1)[nH]c(n2)CSc1nnc2n1c1ccccc1s2
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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 C16H10N6O2S2 MW 382.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10N6O2S2/c23-22(24)9-5-6-10-11(7-9)18-14(17-10)8-25-15-19-20-16-21(15)12-3-1-2-4-13(12)26-16/h1-7H,8H2,(H,17,18)InChIKey
KJDIQVIOJNWPSC-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc2c(c1)(nH)c(n2)CSc1nnc2n1c1ccccc1s2
1((6NITRO1HBENZIMIDAZOL2YL)METHYLSULFANYL)(124)TRIAZOLO(34B)(13)BENZOTHIAZOLE
3(((6NITRO1HBENZIMIDAZOL2YL)METHYL)SULFANYL)(124)TRIAZOLO(34B)(13)BENZOTHIAZOLE
C1=CC=C2C(=C1)N3C(=NN=C3SCC4=NC5=C(N4)C=C(C=C5)(N+)(=O)(O))S2
InChI=1SC16H10N6O2S2c2322(24)9561011(79)1814(1710)8251519201621(15)12312413(12)2616h17H8H2(H1718)
MFCD04342470
ZINC000003633378
ZINC18190571
ZINC3633378
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