Vitas-M small molecule compound
9-ethyl-2-[(4-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
STL398976
SMILES CCC1CCc2c(C1)sc1c2c2nc(nn2cn1)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 C17H17N7O2S MW 383.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O2S/c1-2-10-3-4-12-13(5-10)27-17-15(12)16-20-14(21-23(16)9-18-17)8-22-7-11(6-19-22)24(25)26/h6-7,9-10H,2-5,8H2,1H3InChIKey
RKUBPVVBTCVFTG-UHFFFAOYSA-NSynonyms
1005705-62-31005705623
9ethyl2((4nitro1Hpyrazol1yl)methyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CN5C=C(C=N5)(N+)(=O)(O)
CCC1CCc2c(C1)sc1c2c2nc(nn2cn1)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC17H17N7O2Sc1210341213(510)271715(12)162014(2123(16)91817)822711(61922)24(25)26h67910H258H21H3
MFCD04053889
ZINC000002803780
ZINC000002803781
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