Vitas-M small molecule compound
N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-(morpholin-4-yl)-5-nitrobenzamide
Catalog ID
STK347309
SMILES N#Cc1c(NC(=S)NC(=O)c2cc(ccc2N2CCOCC2)[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 C20H19N5O4S2 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4S2/c21-11-15-13-2-1-3-17(13)31-19(15)23-20(30)22-18(26)14-10-12(25(27)28)4-5-16(14)24-6-8-29-9-7-24/h4-5,10H,1-3,6-9H2,(H2,22,23,26,30)InChIKey
SHUHLPITWKSIBL-UHFFFAOYSA-NSynonyms
C1CC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))N4CCOCC4
InChI=1SC20H19N5O4S2c2111151321317(13)3119(15)2320(30)2218(26)141012(25(27)28)4516(14)2468299724h4510H1369H2(H222232630)
MFCD06630156
N#Cc1c(NC(=S)NC(=O)c2cc(ccc2N2CCOCC2)(N+)(=O)(O))sc2c1CCC2
N((3cyano56dihydro4Hcyclopenta(b)thiophen2yl)carbamothioyl)2(morpholin4yl)5nitrobenzamide
N((3CYANO56DIHYDRO4HCYCLOPENTA(B)THIOPHEN2YL)CARBAMOTHIOYL)2MORPHOLIN4YL5NITROBENZAMIDE
ZINC000012860729
ZINC12860729
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