Vitas-M small molecule compound
propan-2-yl 2-{[(4-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK958754
SMILES CC(OC(=O)c1c(NC(=O)Cn2ncc(c2)[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 C17H20N4O5S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O5S/c1-10(2)26-17(23)15-12-5-3-4-6-13(12)27-16(15)19-14(22)9-20-8-11(7-18-20)21(24)25/h7-8,10H,3-6,9H2,1-2H3,(H,19,22)InChIKey
BZTZFWJWIIDQFL-UHFFFAOYSA-NSynonyms
488822-68-0488822680
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=C(C=N3)(N+)(=O)(O)
CC(OC(=O)c1c(NC(=O)Cn2ncc(c2)(N+)(=O)(O))sc2c1CCCC2)C
InChI=1SC17H20N4O5Sc110(2)2617(23)1512534613(12)2716(15)1914(22)920811(71820)21(24)25h7810H369H212H3(H1922)
MFCD02371551
propan2yl2(((4nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2(4nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000000672842
ZINC00672842
ZINC672842
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