Vitas-M small molecule compound
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,4-dinitrobenzamide
Catalog ID
STK374101
SMILES N#Cc1c(sc2c1CCCCC2)NC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
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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 C17H14N4O5S MW 386.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O5S/c18-9-13-11-4-2-1-3-5-15(11)27-17(13)19-16(22)12-7-6-10(20(23)24)8-14(12)21(25)26/h6-8H,1-5H2,(H,19,22)InChIKey
MHBYKDOTOWEDMY-UHFFFAOYSA-NSynonyms
C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H14N4O5Sc18913114213515(11)2717(13)1916(22)127610(20(23)24)814(12)21(25)26h68H15H2(H1922)
MFCD01107318
N#Cc1c(sc2c1CCCCC2)NC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)24dinitrobenzamide
ZINC000002091830
ZINC02091830
ZINC2091830
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