Vitas-M small molecule compound
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
Catalog ID
STL405527
SMILES N#Cc1c(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 C16H16BrN5O3S MW 438.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrN5O3S/c1-9-14(17)15(22(24)25)20-21(9)8-13(23)19-16-11(7-18)10-5-3-2-4-6-12(10)26-16/h2-6,8H2,1H3,(H,19,23)InChIKey
FPEYDOQXHPOJBQ-UHFFFAOYSA-NSynonyms
355805-13-92(4bromo5methyl3nitro1Hpyrazol1yl)N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)acetamide
2(4bromo5methyl3nitropyrazol1yl)N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)acetamide
355805139
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)(N+)(=O)(O))Br
InChI=1SC16H16BrN5O3Sc1914(17)15(22(24)25)2021(9)813(23)191611(718)105324612(10)2616h268H21H3(H1923)
MFCD01451909
N#Cc1c(NC(=O)Cn2nc(c(c2C)Br)(N+)(=O)(O))sc2c1CCCCC2
ZINC000000845124
ZINC00845124
ZINC845124
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