Vitas-M small molecule compound

(5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-3-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione

Catalog ID
STK568226
SMILES Clc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCc2ccc3c(c2)OCO3)/C)/C1=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 C20H16ClN3O5 MW 413.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O5/c1-11(22-9-12-2-7-15-16(8-12)29-10-28-15)17-18(25)23-20(27)24(19(17)26)14-5-3-13(21)4-6-14/h2-8,22H,9-10H2,1H3,(H,23,25,27)/b17-11+
InChIKey
DNTYPBTWWIZIDY-GZTJUZNOSA-N
Synonyms

(5E)5(1((13benzodioxol5ylmethyl)amino)ethylidene)3(4chlorophenyl)6hydroxypyrimidine24(3H5H)dione
(5E)5(1(13benzodioxol5ylmethylamino)ethylidene)1(4chlorophenyl)13diazinane246trione
CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)NCC3=CC4=C(C=C3)OCO4
Clc1ccc(cc1)N1C(=O)N=C(C(=C(NCc2ccc3c(c2)OCO3)C)C1=O)O
InChI=1SC20H16ClN3O5c111(22912271516(812)29102815)1718(25)2320(27)24(19(17)26)145313(21)4614h2822H910H21H3(H232527)b1711+
MFCD05729029
ZINC000020357466
ZINC20357466

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Available files

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