Vitas-M small molecule compound
ethyl 2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK779687
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])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 C18H21BrN4O5S MW 485.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21BrN4O5S/c1-3-28-18(25)14-11-7-5-4-6-8-12(11)29-17(14)20-13(24)9-22-10(2)15(19)16(21-22)23(26)27/h3-9H2,1-2H3,(H,20,24)InChIKey
SHRLDZLIQBKMKU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3C(=C(C(=N3)(N+)(=O)(O))Br)C
CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)(N+)(=O)(O))sc2c1CCCCC2
ethyl2(((4bromo5methyl3nitro1Hpyrazol1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2(4bromo5methyl3nitropyrazol1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC18H21BrN4O5Sc132818(25)14117546812(11)2917(14)2013(24)92210(2)15(19)16(2122)23(26)27h39H212H3(H2024)
MFCD01447352
ZINC000012413885
ZINC12413885
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