Vitas-M small molecule compound
ethyl 2-{[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL356235
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1nn(cc1[N+](=O)[O-])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 C16H18N4O5S MW 378.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O5S/c1-3-25-16(22)12-9-6-4-5-7-11(9)26-15(12)17-14(21)13-10(20(23)24)8-19(2)18-13/h8H,3-7H2,1-2H3,(H,17,21)InChIKey
NBENHRHQPPFJSI-UHFFFAOYSA-NSynonyms
351333-01-2351333012
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3(N+)(=O)(O))C
CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1nn(cc1(N+)(=O)(O))C
ethyl2(((1methyl4nitro1Hpyrazol3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((1methyl4nitropyrazole3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(1methyl4nitro1Hpyrazole3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC16H18N4O5Sc132516(22)129645711(9)2615(12)1714(21)1310(20(23)24)819(2)1813h8H37H212H3(H1721)
MFCD01244171
ZINC000001001099
ZINC01001099
ZINC1001099
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