Vitas-M small molecule compound
ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK698982
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCN(C3)Cc1ccccc1
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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 C27H27N3O4S2 MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S2/c1-3-34-23(31)17-35-27-28-25-24(26(32)30(27)19-9-11-20(33-2)12-10-19)21-13-14-29(16-22(21)36-25)15-18-7-5-4-6-8-18/h4-12H,3,13-17H2,1-2H3InChIKey
LWNHIHGTIBCCTF-UHFFFAOYSA-NSynonyms
371959-35-2371959352
CCOC(=O)CSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1C5=CC=C(C=C5)OC
ethyl((7benzyl3(4methoxyphenyl)4oxo345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((7benzyl3(4methoxyphenyl)4oxo345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)thio)acetate
ethyl2((7benzyl3(4methoxyphenyl)4oxo68dihydro5Hpyrido(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
InChI=1SC27H27N3O4S2c133423(31)173527282524(26(32)30(27)1991120(332)121019)21131429(1622(21)3625)15187546818h412H31317H212H3
MFCD01875583
ZINC000013763490
ZINC13763490
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