Vitas-M small molecule compound
(4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STL374318
SMILES OC(=O)COc1ccc(cc1)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
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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 C19H12Cl2N2O5S MW 451.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12Cl2N2O5S/c20-13-2-1-3-14(16(13)21)23-18(27)12(17(26)22-19(23)29)8-10-4-6-11(7-5-10)28-9-15(24)25/h1-8H,9H2,(H,24,25)(H,22,26,29)/b12-8+InChIKey
TXJUBEMYOHMQKR-XYOKQWHBSA-NSynonyms
(4((E)(1(23dichlorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)aceticacid
2(4((E)(1(23DICHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
C1=CC(=C(C(=C1)Cl)Cl)N2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)O)C(=O)NC2=S
InChI=1SC19H12Cl2N2O5Sc201321314(16(13)21)2318(27)12(17(26)2219(23)29)8104611(7510)28915(24)25h18H9H2(H2425)(H222629)b128+
MFCD02637987
OC(=O)COc1ccc(cc1)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
ZINC000002975162
ZINC2975162
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