Vitas-M small molecule compound

(5Z)-1-(3-chloro-4-methoxyphenyl)-5-[4-(diethylamino)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK712553
SMILES CCN(c1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)OC)CC

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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 C22H22ClN3O4 MW 427.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O4/c1-4-25(5-2)15-8-6-14(7-9-15)12-17-20(27)24-22(29)26(21(17)28)16-10-11-19(30-3)18(23)13-16/h6-13H,4-5H2,1-3H3,(H,24,27,29)/b17-12-
InChIKey
HXXGAFNWYYGVNV-ATVHPVEESA-N
Synonyms
799817-21-3
(5Z)1(3chloro4methoxyphenyl)5((4(diethylamino)phenyl)methylidene)13diazinane246trione
(5Z)1(3chloro4methoxyphenyl)5(4(diethylamino)benzylidene)pyrimidine246(1H3H5H)trione
(Z)1(3chloro4methoxyphenyl)5(4(diethylamino)benzylidene)pyrimidine246(1H3H5H)trione
799817213
CCN(c1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)OC)CC
CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)OC)Cl
InChI=1SC22H22ClN3O4c1425(52)158614(7915)121720(27)2422(29)26(21(17)28)16101119(303)18(23)1316h613H45H213H3(H242729)b1712
MFCD03681178
ZINC000009428520
ZINC9428520

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Available files

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