Vitas-M small molecule compound

9-tert-butyl-2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Catalog ID
STL400008
SMILES Cn1nc(c(c1c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C)[N+](=O)[O-])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 C20H23N7O2S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7O2S/c1-10-15(27(28)29)16(25(5)23-10)17-22-18-14-12-7-6-11(20(2,3)4)8-13(12)30-19(14)21-9-26(18)24-17/h9,11H,6-8H2,1-5H3
InChIKey
YSZVAZMZUNLUQR-UHFFFAOYSA-N
Synonyms
1005588-25-9
1005588259
9tertbutyl2(13dimethyl4nitro1Hpyrazol5yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC1=NN(C(=C1(N+)(=O)(O))C2=NN3C=NC4=C(C3=N2)C5=C(S4)CC(CC5)C(C)(C)C)C
Cn1nc(c(c1c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C)(N+)(=O)(O))C
InChI=1SC20H23N7O2Sc11015(27(28)29)16(25(5)2310)17221814127611(20(23)4)813(12)3019(14)21926(18)2417h911H68H215H3
MFCD04132633
ZINC000002798109
ZINC000002798110

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Available files

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