Vitas-M small molecule compound
8,9-dimethyl-2-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL386912
SMILES [O-][N+](=O)c1nn(c(c1)C)Cc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc(c1C)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 C20H17N7O2S MW 419.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N7O2S/c1-11-8-16(27(28)29)23-25(11)9-14-4-6-15(7-5-14)18-22-19-17-12(2)13(3)30-20(17)21-10-26(19)24-18/h4-8,10H,9H2,1-3H3InChIKey
VTENJKSPWHDTNV-UHFFFAOYSA-NSynonyms
1005658-71-8(O)(N+)(=O)c1nn(c(c1)C)Cc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc(c1C)C
1005658718
89DIMETHYL2(4((5METHYL3NITRO1HPYRAZOL1YL)METHYL)PHENYL)THIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE
CC1=CC(=NN1CC2=CC=C(C=C2)C3=NN4C=NC5=C(C4=N3)C(=C(S5)C)C)(N+)(=O)(O)
InChI=1SC20H17N7O2Sc111816(27(28)29)2325(11)9144615(7514)1822191712(2)13(3)3020(17)211026(19)2418h4810H9H213H3
MFCD04136791
ZINC000002808085
ZINC02808085
ZINC2808085
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