Vitas-M small molecule compound
(4-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK191585
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(cc2)OCC(=O)O)/C1=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 C16H14N2O5S MW 346.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O5S/c1-2-7-18-15(22)12(14(21)17-16(18)24)8-10-3-5-11(6-4-10)23-9-13(19)20/h2-6,8H,1,7,9H2,(H,19,20)(H,17,21,24)/b12-8+InChIKey
FILSITLUAQZRBX-XYOKQWHBSA-NSynonyms
(4((E)(46DIOXO1(PROP2EN1YL)2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(4((E)(46DIOXO1PROP2ENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
C=CCN1C(=O)C(=CC2=CC=C(C=C2)OCC(=O)O)C(=O)NC1=S
C=CCN1C(=S)NC(=O)C(=Cc2ccc(cc2)OCC(=O)O)C1=O
InChI=1SC16H14N2O5Sc1271815(22)12(14(21)1716(18)24)8103511(6410)23913(19)20h268H179H2(H1920)(H172124)b128+
MFCD02379538
ZINC000002164638
ZINC2164638
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