Vitas-M small molecule compound
2-{[5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK540696
SMILES CSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccccc1)nn2)CC(OC3)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 C22H22N4O2S3 MW 470.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S3/c1-12(2)16-9-14-17(10-28-16)31-20-18(14)19-24-25-22(26(19)21(23-20)29-3)30-11-15(27)13-7-5-4-6-8-13/h4-8,12,16H,9-11H2,1-3H3InChIKey
KNNLZZIZCMRYSN-UHFFFAOYSA-NSynonyms
383902-31-62((10isopropyl5(methylthio)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)1phenylethanone
2((5(methylsulfanyl)10(propan2yl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)1phenylethanone
383902316
CC(C)C1CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC(=O)C5=CC=CC=C5
InChI=1SC22H22N4O2S3c112(2)1691417(102816)312018(14)19242522(26(19)21(2320)293)301115(27)137546813h481216H911H213H3
MFCD03283910
ZINC000001254930
ZINC000001254931
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