Vitas-M small molecule compound

methyl [2,2-dimethyl-5-(2-methylpropyl)-8-oxo-1,8-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-9(4H)-yl]acetate

Catalog ID
STK633598
SMILES COC(=O)Cn1cnc2c(c1=O)oc1c2c2CC(C)(C)OCc2c(n1)CC(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 C21H25N3O5 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5/c1-11(2)6-14-13-9-28-21(3,4)7-12(13)16-17-18(29-19(16)23-14)20(26)24(10-22-17)8-15(25)27-5/h10-11H,6-9H2,1-5H3
InChIKey
PINHHPBRXUNOMW-UHFFFAOYSA-N
Synonyms
1010875-92-9
1010875929
CC(C)CC1=C2COC(CC2=C3C4=C(C(=O)N(C=N4)CC(=O)OC)OC3=N1)(C)C
InChI=1SC21H25N3O5c111(2)6141392821(34)712(13)161718(2919(16)2314)20(26)24(102217)815(25)275h1011H69H215H3
methyl(22dimethyl5(2methylpropyl)8oxo18dihydro2Hpyrano(4345)pyrido(3245)furo(32d)pyrimidin9(4H)yl)acetate
methyl2(5isobutyl22dimethyl8oxo1Hpyrano(4345)pyrido(3245)furo(32d)pyrimidin9(2H4H8H)yl)acetate
MFCD12202132
ZINC000012324487
ZINC12324487

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Available files

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