Vitas-M small molecule compound
{2-chloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetic acid
Catalog ID
STK175044
SMILES OC(=O)COc1ccc(cc1Cl)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1
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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 C19H13ClN2O6 MW 400.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN2O6/c20-14-9-11(6-7-15(14)28-10-16(23)24)8-13-17(25)21-19(27)22(18(13)26)12-4-2-1-3-5-12/h1-9H,10H2,(H,23,24)(H,21,25,27)/b13-8+InChIKey
LYULREBDUQSGRF-MDWZMJQESA-NSynonyms
(2CHLORO4((E)(246TRIOXO1PHENYLTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(2CHLORO4((E)(246TRIOXO1PHENYL13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)Cl)C(=O)NC2=O
InChI=1SC19H13ClN2O6c2014911(6715(14)281016(23)24)81317(25)2119(27)22(18(13)26)124213512h19H10H2(H2324)(H212527)b138+
MFCD02604851
OC(=O)COc1ccc(cc1Cl)C=C1C(=O)NC(=O)N(C1=O)c1ccccc1
ZINC000002727019
ZINC2727019
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