Vitas-M small molecule compound
9-ethyl-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK309972
SMILES CCC1CCc2c(C1)sc1c2c2nc(nn2cn1)Cn1nc(cc1C)[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 C18H19N7O2S MW 397.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N7O2S/c1-3-11-4-5-12-13(7-11)28-18-16(12)17-20-14(21-24(17)9-19-18)8-23-10(2)6-15(22-23)25(26)27/h6,9,11H,3-5,7-8H2,1-2H3InChIKey
QMEBMBPQZYTTHC-UHFFFAOYSA-NSynonyms
1005637-01-31005637013
9ethyl2((5methyl3nitro1Hpyrazol1yl)methyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CN5C(=CC(=N5)(N+)(=O)(O))C
CCC1CCc2c(C1)sc1c2c2nc(nn2cn1)Cn1nc(cc1C)(N+)(=O)(O)
InChI=1SC18H19N7O2Sc1311451213(711)281816(12)172014(2124(17)91918)82310(2)615(2223)25(26)27h6911H3578H212H3
MFCD04053894
ZINC000002803800
ZINC000002803801
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