Vitas-M small molecule compound
(2E)-3-{4-[(2-cyanobenzyl)oxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STL505895
SMILES N#Cc1ccccc1COc1ccc(cc1)/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 C20H16N4O3S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O3S/c1-13-22-20(24-23-13)28-18(19(25)26)10-14-6-8-17(9-7-14)27-12-16-5-3-2-4-15(16)11-21/h2-10H,12H2,1H3,(H,25,26)(H,22,23,24)/b18-10+InChIKey
RDGDXUNYFGIRMB-VCHYOVAHSA-NSynonyms
752990-10-6(~(E))3(4((2cyanophenyl)methoxy)phenyl)2((5methyl1~(H)124triazol3yl)sulfanyl)prop2enoicacid
(2E)3(4((2cyanobenzyl)oxy)phenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(E)3(4((2cyanobenzyl)oxy)phenyl)2((5methyl4H124triazol3yl)thio)acrylicacid
1402984
752990106
MFCD04014983
N#Cc1ccccc1COc1ccc(cc1)C=C(C(=O)O)Sc1nnc((nH)1)C
ZINC000001279697
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