Vitas-M small molecule compound

5-{3-[2-(4-chloro-3-methylphenoxy)ethoxy]benzylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK096996
SMILES O=C1N(C)C(=O)C(=Cc2cccc(c2)OCCOc2ccc(c(c2)C)Cl)C(=O)N1C

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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 C22H21ClN2O5 MW 428.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O5/c1-14-11-17(7-8-19(14)23)30-10-9-29-16-6-4-5-15(12-16)13-18-20(26)24(2)22(28)25(3)21(18)27/h4-8,11-13H,9-10H2,1-3H3
InChIKey
PKQXGMXBJNKNAF-UHFFFAOYSA-N
Synonyms

5((3(2(4CHLORO3METHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)13DIMETHYL13DIAZINANE246TRIONE
5(3(2(4CHLORO3METHYLPHENOXY)ETHOXY)BENZYLIDENE)13DIMETHYLPYRIMIDINE246(1H3H5H)TRIONE
CC1=C(C=CC(=C1)OCCOC2=CC=CC(=C2)C=C3C(=O)N(C(=O)N(C3=O)C)C)Cl
InChI=1SC22H21ClN2O5c1141117(7819(14)23)30109291664515(1216)131820(26)24(2)22(28)25(3)21(18)27h481113H910H213H3
MFCD05975424
O=C1N(C)C(=O)C(=Cc2cccc(c2)OCCOc2ccc(c(c2)C)Cl)C(=O)N1C
STK096996
ZINC000009762101
ZINC09762101
ZINC9762101

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Available files

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