Vitas-M small molecule compound
9-(2-methylbutan-2-yl)-2-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK308925
SMILES CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccc(cc1)Cn1ncc(c1)[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 C26H27N7O2S MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N7O2S/c1-4-26(2,3)18-9-10-20-21(11-18)36-25-22(20)24-29-23(30-32(24)15-27-25)17-7-5-16(6-8-17)13-31-14-19(12-28-31)33(34)35/h5-8,12,14-15,18H,4,9-11,13H2,1-3H3InChIKey
MRJBHJUOKQGTQO-UHFFFAOYSA-NSynonyms
1005633-62-41005633624
9(2methylbutan2yl)2(4((4nitro1Hpyrazol1yl)methyl)phenyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=CC=C(C=C5)CN6C=C(C=N6)(N+)(=O)(O)
CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccc(cc1)Cn1ncc(c1)(N+)(=O)(O))(C)C
InChI=1SC26H27N7O2Sc1426(23)189102021(1118)362522(20)242923(3032(24)152725)177516(6817)13311419(122831)33(34)35h5812141518H491113H213H3
MFCD04132970
ZINC000002798706
ZINC000002798707
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