Vitas-M small molecule compound

9-(2-methylbutan-2-yl)-2-(2-nitrophenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Catalog ID
STL176963
SMILES CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccc1[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 C22H23N5O2S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2S/c1-4-22(2,3)13-9-10-15-17(11-13)30-21-18(15)20-24-19(25-26(20)12-23-21)14-7-5-6-8-16(14)27(28)29/h5-8,12-13H,4,9-11H2,1-3H3
InChIKey
BMOQTNVUOWFHJX-UHFFFAOYSA-N
Synonyms
677760-19-9
677760199
9(2methylbutan2yl)2(2nitrophenyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=CC=CC=C5(N+)(=O)(O)
CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccc1(N+)(=O)(O))(C)C
InChI=1SC22H23N5O2Sc1422(23)139101517(1113)302118(15)202419(2526(20)122321)14756816(14)27(28)29h581213H4911H213H3
MFCD04132733
ZINC000002798278
ZINC000002798279

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Available files

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