Vitas-M small molecule compound
{2-chloro-4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetic acid
Catalog ID
STK187316
SMILES OC(=O)COc1ccc(cc1Cl)C=C1C(=O)NC(=S)NC1=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 C13H9ClN2O5S MW 340.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9ClN2O5S/c14-8-4-6(1-2-9(8)21-5-10(17)18)3-7-11(19)15-13(22)16-12(7)20/h1-4H,5H2,(H,17,18)(H2,15,16,19,20,22)InChIKey
LNFKEDHEOYPXTI-UHFFFAOYSA-NSynonyms
(2CHLORO4((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(2CHLORO4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
C1=CC(=C(C=C1C=C2C(=O)NC(=S)NC2=O)Cl)OCC(=O)O
InChI=1SC13H9ClN2O5Sc14846(129(8)21510(17)18)3711(19)1513(22)1612(7)20h14H5H2(H1718)(H21516192022)
MFCD02640741
ZINC000000452641
ZINC452641
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