Vitas-M small molecule compound

12-methyl-7-[(4-nitrobenzyl)sulfanyl]-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine

Catalog ID
STK573402
SMILES CC1CCc2c(C1)c1c(s2)n2c(SCc3ccc(cc3)[N+](=O)[O-])nnc2n2c1ncn2

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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 C20H17N7O2S2 MW 451.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N7O2S2/c1-11-2-7-15-14(8-11)16-17-21-10-22-26(17)19-23-24-20(25(19)18(16)31-15)30-9-12-3-5-13(6-4-12)27(28)29/h3-6,10-11H,2,7-9H2,1H3
InChIKey
PHWLHFGGFZDIER-UHFFFAOYSA-N
Synonyms
877780-22-8
12methyl7((4nitrobenzyl)sulfanyl)10111213tetrahydro(1)benzothieno(32e)bis(124)triazolo(43a15c)pyrimidine
12methyl7((4nitrobenzyl)thio)10111213tetrahydrobenzo(45)thieno(32e)bis((124)triazolo)(43a15c)pyrimidine
877780228
CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC5=CC=C(C=C5)(N+)(=O)(O))N6C3=NC=N6
CC1CCc2c(C1)c1c(s2)n2c(SCc3ccc(cc3)(N+)(=O)(O))nnc2n2c1ncn2
InChI=1SC20H17N7O2S2c111271514(811)161721102226(17)19232420(25(19)18(16)3115)309123513(6412)27(28)29h361011H279H21H3
MFCD05700228
ZINC000009108718
ZINC000009108719

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Available files

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