Vitas-M small molecule compound
methyl 9-methyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL395947
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(o1)Cn1ncc(c1)[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 C18H13N7O5S MW 439.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N7O5S/c1-9-13-16-21-15(22-24(16)8-19-17(13)31-14(9)18(26)29-2)12-4-3-11(30-12)7-23-6-10(5-20-23)25(27)28/h3-6,8H,7H2,1-2H3InChIKey
YSSWVZUTVUZJLR-UHFFFAOYSA-NSynonyms
1005678-99-81005678998
CC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC=C(O4)CN5C=C(C=N5)(N+)(=O)(O))C(=O)OC
COC(=O)c1sc2c(c1C)c1nc(nn1cn2)c1ccc(o1)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC18H13N7O5Sc1913162115(2224(16)81917(13)3114(9)18(26)292)124311(3012)723610(52023)25(27)28h368H7H212H3
METHYL9METHYL2(5((4NITRO1HPYRAZOL1YL)METHYL)FURAN2YL)THIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE8CARBOXYLATE
MFCD04130175
ZINC000002791672
ZINC02791672
ZINC2791672
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