Vitas-M small molecule compound
9-tert-butyl-2-{4-[(5-methyl-3-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
STK308869
SMILES [O-][N+](=O)c1nn(c(c1)C)Cc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(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/c1-15-11-21(33(34)35)29-31(15)13-16-5-7-17(8-6-16)23-28-24-22-19-10-9-18(26(2,3)4)12-20(19)36-25(22)27-14-32(24)30-23/h5-8,11,14,18H,9-10,12-13H2,1-4H3InChIKey
VPPBBDZDDPOQGB-UHFFFAOYSA-NSynonyms
1005633-43-1(O)(N+)(=O)c1nn(c(c1)C)Cc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C
1005633431
9tertbutyl2(4((5methyl3nitro1Hpyrazol1yl)methyl)phenyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC1=CC(=NN1CC2=CC=C(C=C2)C3=NN4C=NC5=C(C4=N3)C6=C(S5)CC(CC6)C(C)(C)C)(N+)(=O)(O)
InChI=1SC26H27N7O2Sc1151121(33(34)35)2931(15)13165717(8616)232824221910918(26(23)4)1220(19)3625(22)271432(24)3023h58111418H9101213H214H3
MFCD04132835
ZINC000002798456
ZINC000002798457
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