Vitas-M small molecule compound

9-ethyl-2-[(4-nitrophenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Catalog ID
STL171662
SMILES CCC1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1ccc(cc1)[N+](=O)[O-]

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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 C20H19N5O3S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3S/c1-2-12-3-8-15-16(9-12)29-20-18(15)19-22-17(23-24(19)11-21-20)10-28-14-6-4-13(5-7-14)25(26)27/h4-7,11-12H,2-3,8-10H2,1H3
InChIKey
XFNPRKNGNHOBTA-UHFFFAOYSA-N
Synonyms
677311-64-7
677311647
9ethyl2((4nitrophenoxy)methyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)COC5=CC=C(C=C5)(N+)(=O)(O)
CCC1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H19N5O3Sc1212381516(912)292018(15)192217(2324(19)112120)1028146413(5714)25(26)27h471112H23810H21H3
MFCD04046773
ZINC000002797116
ZINC000002797117

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Available files

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