Vitas-M small molecule compound
(2Z)-3-{4-[(2-cyanobenzyl)oxy]-3-methoxyphenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STL505135
SMILES COc1cc(ccc1OCc1ccccc1C#N)/C=C(/C(=O)O)\Sc1nnc([nH]1)C
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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-13-23-21(25-24-13)30-19(20(26)27)10-14-7-8-17(18(9-14)28-2)29-12-16-6-4-3-5-15(16)11-22/h3-10H,12H2,1-2H3,(H,26,27)(H,23,24,25)/b19-10-InChIKey
WARNLKPUMNSSGY-GRSHGNNSSA-NSynonyms
577761-90-1(~(Z))3(4((2cyanophenyl)methoxy)3methoxyphenyl)2((5methyl1~(H)124triazol3yl)sulfanyl)prop2enoicacid
(2Z)3(4((2cyanobenzyl)oxy)3methoxyphenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(Z)3(4((2cyanobenzyl)oxy)3methoxyphenyl)2((5methyl4H124triazol3yl)thio)acrylicacid
1633529
577761901
COc1cc(ccc1OCc1ccccc1C#N)C=C(C(=O)O)Sc1nnc((nH)1)C
MFCD04018538
ZINC000009411183
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