Vitas-M small molecule compound
4-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-nitrobenzamide
Catalog ID
STK427800
SMILES N#Cc1c(sc2c1CCCCC2)NC(=O)c1ccc(cc1[N+](=O)[O-])Cl
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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 C17H14ClN3O3S MW 375.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O3S/c18-10-6-7-12(14(8-10)21(23)24)16(22)20-17-13(9-19)11-4-2-1-3-5-15(11)25-17/h6-8H,1-5H2,(H,20,22)InChIKey
IXGLDYUSCLQAQC-UHFFFAOYSA-NSynonyms
4chloroN(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2nitrobenzamide
C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=C(C=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC17H14ClN3O3Sc18106712(14(810)21(23)24)16(22)201713(919)114213515(11)2517h68H15H2(H2022)
MFCD01350169
N#Cc1c(sc2c1CCCCC2)NC(=O)c1ccc(cc1(N+)(=O)(O))Cl
ZINC000000996216
ZINC00996216
ZINC996216
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