Vitas-M small molecule compound
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dinitrobenzamide
Catalog ID
STK731362
SMILES N#Cc1c(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])sc2c1CCC2
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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 C15H10N4O5S MW 358.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10N4O5S/c16-7-12-11-2-1-3-13(11)25-15(12)17-14(20)8-4-9(18(21)22)6-10(5-8)19(23)24/h4-6H,1-3H2,(H,17,20)InChIKey
WZRGZHQQQRGWSC-UHFFFAOYSA-NSynonyms
C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC15H10N4O5Sc167121121313(11)2515(12)1714(20)849(18(21)22)610(58)19(23)24h46H13H2(H1720)
MFCD01010631
N#Cc1c(NC(=O)c2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))sc2c1CCC2
N(3cyano56dihydro4Hcyclopenta(b)thiophen2yl)35dinitrobenzamide
ZINC000003668506
ZINC03668506
ZINC3668506
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