Vitas-M small molecule compound
2-{[10-ethyl-10-methyl-5-(methylsulfanyl)-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-(morpholin-4-yl)propan-1-one
Catalog ID
STL235549
SMILES CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SC(C(=O)N1CCOCC1)C)SC
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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 C21H27N5O3S3 MW 493.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O3S3/c1-5-21(3)10-13-14(11-29-21)32-17-15(13)16-23-24-20(26(16)19(22-17)30-4)31-12(2)18(27)25-6-8-28-9-7-25/h12H,5-11H2,1-4H3InChIKey
AGCUMSWCEQBUOK-UHFFFAOYSA-NSynonyms
371143-39-42((10ethyl10methyl5(methylsulfanyl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)1(morpholin4yl)propan1one
2((10ethyl10methyl5(methylthio)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)1morpholinopropan1one
371143394
CCC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SC(C)C(=O)N5CCOCC5)C
InChI=1SC21H27N5O3S3c1521(3)101314(112921)321715(13)16232420(26(16)19(2217)304)3112(2)18(27)2568289725h12H511H214H3
MFCD03008989
ZINC000002445871
ZINC000002445874
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