Vitas-M small molecule compound

(2-chloro-4-{(E)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid

Catalog ID
STK175106
SMILES OC(=O)COc1ccc(cc1Cl)/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(c1)C

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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 C20H15ClN2O6 MW 414.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN2O6/c1-11-3-2-4-13(7-11)23-19(27)14(18(26)22-20(23)28)8-12-5-6-16(15(21)9-12)29-10-17(24)25/h2-9H,10H2,1H3,(H,24,25)(H,22,26,28)/b14-8+
InChIKey
ARUXVSYIRBTWIW-RIYZIHGNSA-N
Synonyms

(2CHLORO4((E)(1(3METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(2CHLORO4((E)(1(3METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)Cl)C(=O)NC2=O
InChI=1SC20H15ClN2O6c11132413(711)2319(27)14(18(26)2220(23)28)8125616(15(21)912)291017(24)25h29H10H21H3(H2425)(H222628)b148+
MFCD02640918
OC(=O)COc1ccc(cc1Cl)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C
ZINC000002982932
ZINC2982932

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Available files

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