Vitas-M small molecule compound
ethyl 5-methyl-2-({[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]carbonyl}amino)thiophene-3-carboxylate
Catalog ID
STL181271
SMILES CCOC(=O)c1cc(sc1NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)[N+](=O)[O-])C
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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 C20H16N6O5S MW 452.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O5S/c1-3-31-19(28)14-7-11(2)32-18(14)24-17(27)16-9-15(23-20-21-10-22-25(16)20)12-5-4-6-13(8-12)26(29)30/h4-10H,3H2,1-2H3,(H,24,27)InChIKey
UTHIBZWJONBBSY-UHFFFAOYSA-NSynonyms
1174858-69-51174858695
CCOC(=O)C1=C(SC(=C1)C)NC(=O)C2=CC(=NC3=NC=NN23)C4=CC(=CC=C4)(N+)(=O)(O)
CCOC(=O)c1cc(sc1NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)(N+)(=O)(O))C
ethyl5methyl2(((5(3nitrophenyl)(124)triazolo(15a)pyrimidin7yl)carbonyl)amino)thiophene3carboxylate
ethyl5methyl2((5(3nitrophenyl)(124)triazolo(15a)pyrimidine7carbonyl)amino)thiophene3carboxylate
InChI=1SC20H16N6O5Sc133119(28)14711(2)3218(14)2417(27)16915(232021102225(16)20)1254613(812)26(29)30h410H3H212H3(H2427)
MFCD10701817
ZINC000036619359
ZINC36619359
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