Vitas-M small molecule compound
propan-2-yl 2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL170561
SMILES CC(OC(=O)c1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc2c1CCCC2)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 C16H19N5O5S MW 393.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N5O5S/c1-9(2)26-15(23)13-10-5-3-4-6-11(10)27-14(13)18-12(22)7-20-8-17-16(19-20)21(24)25/h8-9H,3-7H2,1-2H3,(H,18,22)InChIKey
SJNDLXURAUTPGF-UHFFFAOYSA-NSynonyms
313248-72-5313248725
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC(=N3)(N+)(=O)(O)
CC(OC(=O)c1c(NC(=O)Cn2cnc(n2)(N+)(=O)(O))sc2c1CCCC2)C
InChI=1SC16H19N5O5Sc19(2)2615(23)1310534611(10)2714(13)1812(22)72081716(1920)21(24)25h89H37H212H3(H1822)
isopropyl2(2(3nitro1H124triazol1yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01244389
propan2yl2(((3nitro1H124triazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2(3nitro124triazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002092694
ZINC02092694
ZINC2092694
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