Vitas-M small molecule compound
methyl 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL395323
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)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 C16H15N7O4S MW 401.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N7O4S/c1-7-11-14-18-10(5-21-9(3)12(23(25)26)8(2)19-21)20-22(14)6-17-15(11)28-13(7)16(24)27-4/h6H,5H2,1-4H3InChIKey
OHNORPAUMIJYSO-UHFFFAOYSA-NSynonyms
1005678-68-11005678681
CC1=C(SC2=C1C3=NC(=NN3C=N2)CN4C(=C(C(=N4)C)(N+)(=O)(O))C)C(=O)OC
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC16H15N7O4Sc1711141810(5219(3)12(23(25)26)8(2)1921)2022(14)61715(11)2813(7)16(24)274h6H5H214H3
METHYL2((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)9METHYLTHIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXYLATE
MFCD04130067
ZINC000002791294
ZINC02791294
ZINC2791294
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