Vitas-M small molecule compound
methyl 9-methyl-2-{5-[(4-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL177029
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(o1)COc1ccc(cc1)[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 C21H15N5O6S MW 465.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O6S/c1-11-16-19-23-18(24-25(19)10-22-20(16)33-17(11)21(27)30-2)15-8-7-14(32-15)9-31-13-5-3-12(4-6-13)26(28)29/h3-8,10H,9H2,1-2H3InChIKey
XVGMDEWVASHHOK-UHFFFAOYSA-NSynonyms
832134-67-5832134675
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC=C(O4)COC5=CC=C(C=C5)(N+)(=O)(O))C(=O)OC
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(o1)COc1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H15N5O6Sc11116192318(2425(19)102220(16)3317(11)21(27)302)158714(3215)931135312(4613)26(28)29h3810H9H212H3
methyl9methyl2(5((4nitrophenoxy)methyl)furan2yl)thieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
MFCD04133552
ZINC000002799672
ZINC02799672
ZINC2799672
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