Vitas-M small molecule compound

(5Z)-1-(3-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK836881
SMILES COc1cccc(c1)N1C(=O)NC(=O)/C(=C/c2cc3OCOc3cc2[N+](=O)[O-])/C1=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 C19H13N3O8 MW 411.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O8/c1-28-12-4-2-3-11(7-12)21-18(24)13(17(23)20-19(21)25)5-10-6-15-16(30-9-29-15)8-14(10)22(26)27/h2-8H,9H2,1H3,(H,20,23,25)/b13-5-
InChIKey
LARZQSNNYDSHKJ-ACAGNQJTSA-N
Synonyms
372499-66-6
(5Z)1(3METHOXYPHENYL)5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(3methoxyphenyl)5((6nitro13benzodioxol5yl)methylidene)pyrimidine246(1H3H5H)trione
(Z)1(3methoxyphenyl)5((6nitrobenzo(d)(13)dioxol5yl)methylene)pyrimidine246(1H3H5H)trione
372499666
COC1=CC=CC(=C1)N2C(=O)C(=CC3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)NC2=O
COc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cc3OCOc3cc2(N+)(=O)(O))C1=O
InChI=1SC19H13N3O8c1281242311(712)2118(24)13(17(23)2019(21)25)51061516(3092915)814(10)22(26)27h28H9H21H3(H202325)b135
MFCD01828043
ZINC000009183505
ZINC09183505
ZINC9183505

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Available files

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