Vitas-M small molecule compound
ethyl 2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK492971
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])sc2c1CCCC2
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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 C17H19BrN4O5S MW 471.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrN4O5S/c1-3-27-17(24)13-10-6-4-5-7-11(10)28-16(13)19-12(23)8-21-9(2)14(18)15(20-21)22(25)26/h3-8H2,1-2H3,(H,19,23)InChIKey
KPVBWJLOOOKEQM-UHFFFAOYSA-NSynonyms
957333-12-9957333129
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=C(C(=N3)(N+)(=O)(O))Br)C
CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)(N+)(=O)(O))sc2c1CCCC2
ethyl2(((4bromo5methyl3nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4bromo5methyl3nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC17H19BrN4O5Sc132717(24)1310645711(10)2816(13)1912(23)8219(2)14(18)15(2021)22(25)26h38H212H3(H1923)
MFCD06630556
ZINC000001068488
ZINC01068488
ZINC1068488
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