Vitas-M small molecule compound
9-(2-chlorobenzyl)-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8(9H)-one
Catalog ID
STK642677
SMILES CC(Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncn(c3=O)Cc1ccccc1Cl)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 C25H26ClN3O3 MW 451.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClN3O3/c1-14(2)9-19-17-12-31-25(3,4)10-16(17)20-21-22(32-23(20)28-19)24(30)29(13-27-21)11-15-7-5-6-8-18(15)26/h5-8,13-14H,9-12H2,1-4H3InChIKey
UBMHHJSYMXJMCM-UHFFFAOYSA-NSynonyms
1010922-98-11010922981
9(2chlorobenzyl)22dimethyl5(2methylpropyl)14dihydro2Hpyrano(4345)pyrido(3245)furo(32d)pyrimidin8(9H)one
9(2chlorobenzyl)5isobutyl22dimethyl49dihydro1Hpyrano(4345)pyrido(3245)furo(32d)pyrimidin8(2H)one
CC(C)CC1=C2COC(CC2=C3C4=C(C(=O)N(C=N4)CC5=CC=CC=C5Cl)OC3=N1)(C)C
InChI=1SC25H26ClN3O3c114(2)91917123125(34)1016(17)202122(3223(20)2819)24(30)29(132721)1115756818(15)26h581314H912H214H3
MFCD12201336
ZINC000012324302
ZINC12324302
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