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}-N,N-diphenylacetamide
Catalog ID
STL041417
SMILES CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)N(c1ccccc1)c1ccccc1)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 C28H27N5O2S3 MW 561.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O2S3/c1-4-28(2)15-20-21(16-35-28)38-25-23(20)24-30-31-27(33(24)26(29-25)36-3)37-17-22(34)32(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,4,15-17H2,1-3H3InChIKey
DQBDOFGAKQQQEF-UHFFFAOYSA-NSynonyms
2((10ethyl10methyl5(methylsulfanyl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)NNdiphenylacetamide
2((10ethyl10methyl5(methylthio)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)NNdiphenylacetamide
CCC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC(=O)N(C5=CC=CC=C5)C6=CC=CC=C6)C
InChI=1SC28H27N5O2S3c1428(2)152021(163528)382523(20)24303127(33(24)26(2925)363)371722(34)32(18117581218)191396101419h514H41517H213H3
MFCD03676328
ZINC000001897527
ZINC000001897528
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