Vitas-M small molecule compound
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Catalog ID
STL181244
SMILES N#Cc1c(sc2c1CCC2)NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)[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 C20H13N7O3S MW 431.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N7O3S/c21-9-14-13-5-2-6-17(13)31-19(14)25-18(28)16-8-15(24-20-22-10-23-26(16)20)11-3-1-4-12(7-11)27(29)30/h1,3-4,7-8,10H,2,5-6H2,(H,25,28)InChIKey
OBMMUWVYEUYSFX-UHFFFAOYSA-NSynonyms
1174850-16-81174850168
C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=NC=NN34)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC20H13N7O3Sc219141352617(13)3119(14)2518(28)16815(242022102326(16)20)1131412(711)27(29)30h1347810H256H2(H2528)
MFCD10701648
N#Cc1c(sc2c1CCC2)NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)(N+)(=O)(O)
N(3cyano56dihydro4Hcyclopenta(b)thiophen2yl)5(3nitrophenyl)(124)triazolo(15a)pyrimidine7carboxamide
ZINC000036619148
ZINC36619148
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