Vitas-M small molecule compound
methyl 9-methyl-2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL178512
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)CCn1cnc(n1)[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 C14H12N8O4S MW 388.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N8O4S/c1-7-9-11-17-8(3-4-20-5-16-14(19-20)22(24)25)18-21(11)6-15-12(9)27-10(7)13(23)26-2/h5-6H,3-4H2,1-2H3InChIKey
NEUCZNYXDRWYDG-UHFFFAOYSA-NSynonyms
832125-76-5832125765
CC1=C(SC2=C1C3=NC(=NN3C=N2)CCN4C=NC(=N4)(N+)(=O)(O))C(=O)OC
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)CCn1cnc(n1)(N+)(=O)(O)
InChI=1SC14H12N8O4Sc17911178(342051614(1920)22(24)25)1821(11)61512(9)2710(7)13(23)262h56H34H212H3
methyl9methyl2(2(3nitro1H124triazol1yl)ethyl)thieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
MFCD04134644
ZINC000002803944
ZINC02803944
ZINC2803944
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