Vitas-M small molecule compound
methyl {[3-benzyl-4-oxo-7-(propan-2-yl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK804957
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C3)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 C22H25N3O3S2 MW 443.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S2/c1-14(2)24-10-9-16-17(12-24)30-20-19(16)21(27)25(11-15-7-5-4-6-8-15)22(23-20)29-13-18(26)28-3/h4-8,14H,9-13H2,1-3H3InChIKey
KPENHIYAZYPOQP-UHFFFAOYSA-NSynonyms
354992-58-8354992588
CC(C)N1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)CC4=CC=CC=C4
InChI=1SC22H25N3O3S2c114(2)241091617(1224)302019(16)21(27)25(11157546815)22(2320)291318(26)283h4814H913H213H3
methyl((3benzyl4oxo7(propan2yl)345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((3benzyl4oxo7propan2yl68dihydro5Hpyrido(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
methyl2((3benzyl7isopropyl4oxo345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)thio)acetate
MFCD01876927
ZINC000019789554
ZINC19789554
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