Vitas-M small molecule compound
2-methoxyethyl 2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK231419
SMILES COCCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)[N+](=O)[O-])nc(n2)SCc1ccccc1
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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 C23H23N5O5S MW 481.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5S/c1-15-19(21(29)33-13-12-32-2)20(17-8-10-18(11-9-17)28(30)31)27-22(24-15)25-23(26-27)34-14-16-6-4-3-5-7-16/h3-11,20H,12-14H2,1-2H3,(H,24,25,26)InChIKey
CMRJJJPTHWQQCO-UHFFFAOYSA-NSynonyms
2methoxyethyl2(benzylsulfanyl)5methyl7(4nitrophenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
2methoxyethyl2benzylsulfanyl5methyl7(4nitrophenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxylate
2METHOXYETHYL5METHYL7(4NITROPHENYL)2(PHENYLMETHYLTHIO)478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OCCOC
COCCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)(N+)(=O)(O))nc(n2)SCc1ccccc1
InChI=1SC23H23N5O5Sc11519(21(29)331312322)20(1781018(11917)28(30)31)2722(2415)2523(2627)3414166435716h31120H1214H212H3(H242526)
MFCD06755157
ZINC000009427091
ZINC000009427092
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