Vitas-M small molecule compound
ethyl 2-{[2-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK301350
SMILES CCOC(=O)c1c(NC(=O)C(n2ncc(c2)[N+](=O)[O-])C)sc2c1CCCCC2
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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 C18H22N4O5S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O5S/c1-3-27-18(24)15-13-7-5-4-6-8-14(13)28-17(15)20-16(23)11(2)21-10-12(9-19-21)22(25)26/h9-11H,3-8H2,1-2H3,(H,20,23)InChIKey
HHULJJQVWFJLMA-UHFFFAOYSA-NSynonyms
492424-86-9492424869
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)N3C=C(C=N3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)C(n2ncc(c2)(N+)(=O)(O))C)sc2c1CCCCC2
ethyl2((2(4nitro1Hpyrazol1yl)propanoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2(4nitropyrazol1yl)propanoylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC18H22N4O5Sc132718(24)15137546814(13)2817(15)2016(23)11(2)211012(91921)22(25)26h911H38H212H3(H2023)
MFCD02604985
ZINC000000647849
ZINC000002727132
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