Vitas-M small molecule compound

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

Catalog ID
STK308940
SMILES [O-][N+](=O)c1cnn(c1)CCc1nn2c(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 C20H23N7O2S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7O2S/c1-20(2,3)12-4-5-14-15(8-12)30-19-17(14)18-23-16(24-26(18)11-21-19)6-7-25-10-13(9-22-25)27(28)29/h9-12H,4-8H2,1-3H3
InChIKey
IYKWNWBESHMNRH-UHFFFAOYSA-N
Synonyms
1005633-68-0
(O)(N+)(=O)c1cnn(c1)CCc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C
1005633680
9tertbutyl2(2(4nitro1Hpyrazol1yl)ethyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CCN5C=C(C=N5)(N+)(=O)(O)
InChI=1SC20H23N7O2Sc120(23)12451415(812)301917(14)182316(2426(18)112119)67251013(92225)27(28)29h912H48H213H3
MFCD04133020
ZINC000002798777
ZINC000002798778

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Available files

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