Vitas-M small molecule compound
2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK079930
SMILES O=c1[nH]cc(c(=O)[nH]1)N1C(=O)c2c(C1=O)ccc(c2)c1nc2ccccc2c(=O)o1
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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 C20H10N4O6 MW 402.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H10N4O6/c25-15-14(8-21-20(29)23-15)24-17(26)10-6-5-9(7-12(10)18(24)27)16-22-13-4-2-1-3-11(13)19(28)30-16/h1-8H,(H2,21,23,25,29)InChIKey
DFHPOWKMEAHOKE-UHFFFAOYSA-NSynonyms
2(24dioxo1234tetrahydropyrimidin5yl)5(4oxo4H31benzoxazin2yl)1Hisoindole13(2H)dione
2(24DIOXO1HPYRIMIDIN5YL)5(4OXO31BENZOXAZIN2YL)ISOINDOLE13DIONE
5(13DIOXO5(4OXOBENZO(D)13OXAZIN2YL)BENZO(C)AZOLIN2YL)13DIHYDROPYRIMIDINE24DIONE
C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CNC(=O)NC5=O
InChI=1SC20H10N4O6c251514(82120(29)2315)2417(26)10659(712(10)18(24)27)162213421311(13)19(28)3016h18H(H221232529)
MFCD00336865
O=c1(nH)cc(c(=O)(nH)1)N1C(=O)c2c(C1=O)ccc(c2)c1nc2ccccc2c(=O)o1
STK079930
ZINC000001234955
ZINC01234955
ZINC1234955
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