Vitas-M small molecule compound
ethyl 9-methyl-2-[2-(4-nitro-1H-pyrazol-1-yl)propan-2-yl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL395292
SMILES CCOC(=O)c1sc2c(c1C)c1nc(nn1cn2)C(n1ncc(c1)[N+](=O)[O-])(C)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 C17H17N7O4S MW 415.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O4S/c1-5-28-15(25)12-9(2)11-13-20-16(21-22(13)8-18-14(11)29-12)17(3,4)23-7-10(6-19-23)24(26)27/h6-8H,5H2,1-4H3InChIKey
BZFQBKMUVJZYKA-UHFFFAOYSA-NSynonyms
1005638-08-31005638083
CCOC(=O)C1=C(C2=C(S1)N=CN3C2=NC(=N3)C(C)(C)N4C=C(C=N4)(N+)(=O)(O))C
CCOC(=O)c1sc2c(c1C)c1nc(nn1cn2)C(n1ncc(c1)(N+)(=O)(O))(C)C
ETHYL9METHYL2(2(4NITRO1HPYRAZOL1YL)PROPAN2YL)THIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXYLATE
InChI=1SC17H17N7O4Sc152815(25)129(2)11132016(2122(13)81814(11)2912)17(34)23710(61923)24(26)27h68H5H214H3
MFCD04129806
ZINC000002790047
ZINC02790047
ZINC2790047
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