Vitas-M small molecule compound
methyl 2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL394868
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)Cn1cc(c(n1)OC)[N+](=O)[O-]
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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 C15H13N7O5S MW 403.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N7O5S/c1-7-10-12-17-9(5-20-4-8(22(24)25)13(19-20)26-2)18-21(12)6-16-14(10)28-11(7)15(23)27-3/h4,6H,5H2,1-3H3InChIKey
ABYUVCLUGWGQRQ-UHFFFAOYSA-NSynonyms
1005585-40-91005585409
CC1=C(SC2=C1C3=NC(=NN3C=N2)CN4C=C(C(=N4)OC)(N+)(=O)(O))C(=O)OC
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)Cn1cc(c(n1)OC)(N+)(=O)(O)
InChI=1SC15H13N7O5Sc171012179(52048(22(24)25)13(1920)262)1821(12)61614(10)2811(7)15(23)273h46H5H213H3
METHYL2((3METHOXY4NITRO1HPYRAZOL1YL)METHYL)9METHYLTHIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXYLATE
MFCD04051177
ZINC000002790376
ZINC02790376
ZINC2790376
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