Vitas-M small molecule compound

(4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,6-dichlorophenoxy)acetic acid

Catalog ID
STK170148
SMILES OC(=O)COc1c(Cl)cc(cc1Cl)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2

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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 C20H12Cl2N2O8 MW 479.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12Cl2N2O8/c21-12-4-9(5-13(22)17(12)30-7-16(25)26)3-11-18(27)23-20(29)24(19(11)28)10-1-2-14-15(6-10)32-8-31-14/h1-6H,7-8H2,(H,25,26)(H,23,27,29)/b11-3+
InChIKey
WMFJPZJPUAAIEP-QDEBKDIKSA-N
Synonyms

(4((E)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)26DICHLOROPHENOXY)ACETICACID
2(4((E)(1(13benzodioxol5yl)246trioxo13diazinan5ylidene)methyl)26dichlorophenoxy)aceticacid
C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC(=C(C(=C4)Cl)OCC(=O)O)Cl)C(=O)NC3=O
InChI=1SC20H12Cl2N2O8c211249(513(22)17(12)30716(25)26)31118(27)2320(29)24(19(11)28)10121415(610)3283114h16H78H2(H2526)(H232729)b113+
MFCD04307901
OC(=O)COc1c(Cl)cc(cc1Cl)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
ZINC000009259819
ZINC9259819

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Available files

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