Vitas-M small molecule compound
pentyl {[7-benzyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK538910
SMILES CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)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 C30H33N3O3S2 MW 547.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O3S2/c1-3-4-8-17-36-26(34)20-37-30-31-28-27(29(35)33(30)23-13-11-21(2)12-14-23)24-15-16-32(19-25(24)38-28)18-22-9-6-5-7-10-22/h5-7,9-14H,3-4,8,15-20H2,1-2H3InChIKey
WPUMDHQZYBTFDJ-UHFFFAOYSA-NSynonyms
371206-64-3371206643
CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1C5=CC=C(C=C5)C
InChI=1SC30H33N3O3S2c1348173626(34)203730312827(29(35)33(30)23131121(2)121423)24151632(1925(24)3828)182296571022h57914H3481520H212H3
MFCD03009642
pentyl((7benzyl3(4methylphenyl)4oxo345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((7benzyl3(4methylphenyl)4oxo68dihydro5Hpyrido(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
pentyl2((7benzyl4oxo3(ptolyl)345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)thio)acetate
ZINC000053306831
ZINC53306831
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