Vitas-M small molecule compound
methyl 2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL399058
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(o1)Cn1nc(c(c1C)[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 C20H17N7O5S MW 467.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N7O5S/c1-9-14-18-22-17(24-26(18)8-21-19(14)33-16(9)20(28)31-4)13-6-5-12(32-13)7-25-11(3)15(27(29)30)10(2)23-25/h5-6,8H,7H2,1-4H3InChIKey
IWWXKWCCZNBOTE-UHFFFAOYSA-NSynonyms
1005588-68-01005588680
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC=C(O4)CN5C(=C(C(=N5)C)(N+)(=O)(O))C)C(=O)OC
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(o1)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC20H17N7O5Sc1914182217(2426(18)82119(14)3316(9)20(28)314)136512(3213)72511(3)15(27(29)30)10(2)2325h568H7H214H3
METHYL2(5((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)FURAN2YL)9METHYLTHIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXYLATE
MFCD04133116
ZINC000002798936
ZINC02798936
ZINC2798936
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