Vitas-M small molecule compound

(5Z)-3-(3-chloro-4-methylphenyl)-5-[4-(diethylamino)benzylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione

Catalog ID
STL045444
SMILES CCN(c1ccc(cc1)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(c(c1)Cl)C)O)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 C22H22ClN3O3 MW 411.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O3/c1-4-25(5-2)16-10-7-15(8-11-16)12-18-20(27)24-22(29)26(21(18)28)17-9-6-14(3)19(23)13-17/h6-13H,4-5H2,1-3H3,(H,24,27,29)/b18-12-
InChIKey
CCTJQBOKBVOLIZ-PDGQHHTCSA-N
Synonyms
672323-60-3
(5Z)1(3CHLORO4METHYLPHENYL)5((4(DIETHYLAMINO)PHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)3(3chloro4methylphenyl)5(4(diethylamino)benzylidene)6hydroxypyrimidine24(3H5H)dione
672323603
CCN(c1ccc(cc1)C=C1C(=NC(=O)N(C1=O)c1ccc(c(c1)Cl)C)O)CC
CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl
InChI=1SC22H22ClN3O3c1425(52)1610715(81116)121820(27)2422(29)26(21(18)28)179614(3)19(23)1317h613H45H213H3(H242729)b1812
MFCD04074045
ZINC000005100696
ZINC05100696
ZINC5100696

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Available files

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