Vitas-M small molecule compound

2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK002034
SMILES O=C1c2cc(ccc2C(=O)N1c1c[nH]c(=O)[nH]c1=O)Oc1ccc(cc1)[N+](=O)[O-]

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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 C18H10N4O7 MW 394.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10N4O7/c23-15-14(8-19-18(26)20-15)21-16(24)12-6-5-11(7-13(12)17(21)25)29-10-3-1-9(2-4-10)22(27)28/h1-8H,(H2,19,20,23,26)
InChIKey
ZDHROWHFPMWKHG-UHFFFAOYSA-N
Synonyms

2(24dioxo1234tetrahydropyrimidin5yl)5(4nitrophenoxy)1Hisoindole13(2H)dione
2(24DIOXO1HPYRIMIDIN5YL)5(4NITROPHENOXY)ISOINDOLE13DIONE
C1=CC(=CC=C1(N+)(=O)(O))OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CNC(=O)NC4=O
InChI=1SC18H10N4O7c231514(81918(26)2015)2116(24)126511(713(12)17(21)25)2910319(2410)22(27)28h18H(H219202326)
MFCD00336852
O=C1c2cc(ccc2C(=O)N1c1c(nH)c(=O)(nH)c1=O)Oc1ccc(cc1)(N+)(=O)(O)
STK002034
ZINC000004066083
ZINC04066083
ZINC4066083

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Available files

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