Vitas-M small molecule compound
ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate
Catalog ID
STL323280
SMILES CCOC(=O)CSc1n[nH]c2n1c(=O)c1c(n2)sc2c1CC(C)(C)SC2
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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 C16H18N4O3S3 MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3S3/c1-4-23-10(21)7-24-15-19-18-14-17-12-11(13(22)20(14)15)8-5-16(2,3)25-6-9(8)26-12/h4-7H2,1-3H3,(H,17,18)InChIKey
ZPWSMZOQQXCUII-UHFFFAOYSA-NSynonyms
303013-75-4303013754
CCOC(=O)CSC1=NNC2=NC3=C(C4=C(S3)CSC(C4)(C)C)C(=O)N21
CCOC(=O)CSc1n(nH)c2n1c(=O)c1c(n2)sc2c1CC(C)(C)SC2
ethyl((77dimethyl5oxo1679tetrahydro5Hthiopyrano(4345)thieno(23d)(124)triazolo(43a)pyrimidin3yl)sulfanyl)acetate
ethyl2((77dimethyl5oxo5679tetrahydro1Hthiopyrano(4345)thieno(23d)(124)triazolo(43a)pyrimidin3yl)thio)acetate
InChI=1SC16H18N4O3S3c142310(21)72415191814171211(13(22)20(14)15)8516(23)2569(8)2612h47H213H3(H1718)
MFCD01556540
ZINC000002334149
ZINC02334149
ZINC2334149
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