Vitas-M small molecule compound
methyl {[4-(4-methoxyphenyl)-5-oxo-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Catalog ID
STK831078
SMILES COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCCCC3
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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 C22H22N4O4S2 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S2/c1-29-14-10-8-13(9-11-14)25-19(28)18-15-6-4-3-5-7-16(15)32-20(18)26-21(25)23-24-22(26)31-12-17(27)30-2/h8-11H,3-7,12H2,1-2H3InChIKey
WAGKDZAKZRWBPJ-UHFFFAOYSA-NSynonyms
351005-32-8351005328
COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)OC)SC5=C3CCCCC5
InChI=1SC22H22N4O4S2c1291410813(91114)2519(28)18156435716(15)3220(18)2621(25)232422(26)311217(27)302h811H3712H212H3
methyl((4(4methoxyphenyl)5oxo4578910hexahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
methyl2((4(4methoxyphenyl)5oxo5678910hexahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
MFCD01953228
ZINC000002286340
ZINC02286340
ZINC2286340
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