Vitas-M small molecule compound
methyl 5-({[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}methyl)furan-2-carboxylate
Catalog ID
STL448070
SMILES COC(=O)c1ccc(o1)CSc1nc(SC)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
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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 C26H28N4O5S3 MW 572.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O5S3/c1-26(2)11-15-16(12-34-26)21(30-7-9-33-10-8-30)28-22-18(15)19-20(38-22)23(29-25(27-19)36-4)37-13-14-5-6-17(35-14)24(31)32-3/h5-6H,7-13H2,1-4H3InChIKey
FWCMYXRJYSAMAN-UHFFFAOYSA-NSynonyms
CC1(CC2=C3C4=C(C(=NC(=N4)SC)SCC5=CC=C(O5)C(=O)OC)SC3=NC(=C2CO1)N6CCOCC6)C
InChI=1SC26H28N4O5S3c126(2)111516(123426)21(30793310830)282218(15)1920(3822)23(2925(2719)364)3713145617(3514)24(31)323h56H713H214H3
methyl5(((22dimethyl10(methylsulfanyl)5(morpholin4yl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)methyl)furan2carboxylate
MFCD07773590
ZINC000101381236
ZINC101381236
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