Vitas-M small molecule compound
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N,N,9-trimethylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
Catalog ID
STL397412
SMILES CN(C(=O)c1sc2c(c1C)c1nc(nn1cn2)Cn1nc(c(c1C)[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 C17H18N8O3S MW 414.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N8O3S/c1-8-12-15-19-11(6-23-10(3)13(25(27)28)9(2)20-23)21-24(15)7-18-16(12)29-14(8)17(26)22(4)5/h7H,6H2,1-5H3InChIKey
JRLJVZHLPXLFHK-UHFFFAOYSA-NSynonyms
1005648-79-21005648792
2((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)NN9TRIMETHYLTHIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXAMIDE
CC1=C(SC2=C1C3=NC(=NN3C=N2)CN4C(=C(C(=N4)C)(N+)(=O)(O))C)C(=O)N(C)C
CN(C(=O)c1sc2c(c1C)c1nc(nn1cn2)Cn1nc(c(c1C)(N+)(=O)(O))C)C
InChI=1SC17H18N8O3Sc1812151911(62310(3)13(25(27)28)9(2)2023)2124(15)71816(12)2914(8)17(26)22(4)5h7H6H215H3
MFCD04130110
ZINC000002791445
ZINC02791445
ZINC2791445
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