Vitas-M small molecule compound
(2E)-3-(2-hydroxy-5-methylphenyl)-4-[hydroxy(2-phenylethyl)phosphoryl]but-2-enoic acid
Catalog ID
STL519574
SMILES OC(=O)/C=C(\c1cc(C)ccc1O)/CP(=O)(CCc1ccccc1)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 C19H21O5P MW 360.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21O5P/c1-14-7-8-18(20)17(11-14)16(12-19(21)22)13-25(23,24)10-9-15-5-3-2-4-6-15/h2-8,11-12,20H,9-10,13H2,1H3,(H,21,22)(H,23,24)/b16-12-InChIKey
DTXBUZQCAJVSQP-VBKFSLOCSA-NSynonyms
(~(E))3(2hydroxy5methylphenyl)4(hydroxy(2phenylethyl)phosphoryl)but2enoicacid
(2E)3(2hydroxy5methylphenyl)4(hydroxy(2phenylethyl)phosphoryl)but2enoicacid
(E)4(hydroxy(phenethyl)phosphoryl)3(2hydroxy5methylphenyl)but2enoicacid
39377489
InChI=1SC19H21O5Pc1147818(20)17(1114)16(1219(21)22)1325(2324)109155324615h28111220H91013H21H3(H2122)(H2324)b1612
MFCD12029926
OC(=O)C=C(c1cc(C)ccc1O)CP(=O)(CCc1ccccc1)O
ZINC000032123787
ZINC32123787
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