Vitas-M small molecule compound
methyl 9-methyl-2-{4-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL393690
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(cc1)Cn1ccc(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 C20H15N7O4S MW 449.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N7O4S/c1-11-15-18-22-17(24-26(18)10-21-19(15)32-16(11)20(28)31-2)13-5-3-12(4-6-13)9-25-8-7-14(23-25)27(29)30/h3-8,10H,9H2,1-2H3InChIKey
YQFWMDZEFVSUFJ-UHFFFAOYSA-NSynonyms
1005680-06-71005680067
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC=C(C=C4)CN5C=CC(=N5)(N+)(=O)(O))C(=O)OC
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(cc1)Cn1ccc(n1)(N+)(=O)(O)
InChI=1SC20H15N7O4Sc11115182217(2426(18)102119(15)3216(11)20(28)312)135312(4613)9258714(2325)27(29)30h3810H9H212H3
METHYL9METHYL2(4((3NITRO1HPYRAZOL1YL)METHYL)PHENYL)THIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXYLATE
MFCD04130607
ZINC000002793333
ZINC02793333
ZINC2793333
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