Vitas-M small molecule compound
3-{[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitrophenyl]amino}propan-1-ol
Catalog ID
STK080833
SMILES OCCCNc1ccc(c(c1)Sc1nc2c([nH]1)cccc2)[N+](=O)[O-]
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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 C16H16N4O3S MW 344.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O3S/c21-9-3-8-17-11-6-7-14(20(22)23)15(10-11)24-16-18-12-4-1-2-5-13(12)19-16/h1-2,4-7,10,17,21H,3,8-9H2,(H,18,19)InChIKey
RCEQMNFLPVFVPQ-UHFFFAOYSA-NSynonyms
3((3(1HBENZIMIDAZOL2YLSULFANYL)4NITROPHENYL)AMINO)PROPAN1OL
3(3(1HBENZIMIDAZOL2YLSULFANYL)4NITROANILINO)PROPAN1OL
C1=CC=C2C(=C1)NC(=N2)SC3=C(C=CC(=C3)NCCCO)(N+)(=O)(O)
InChI=1SC16H16N4O3Sc2193817116714(20(22)23)15(1011)24161812412513(12)1916h1247101721H389H2(H1819)
MFCD01239580
OCCCNc1ccc(c(c1)Sc1nc2c((nH)1)cccc2)(N+)(=O)(O)
STK080833
ZINC000003877244
ZINC03877244
ZINC3877244
Check stock
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Check stock on Vitas-MAvailable files
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