Vitas-M small molecule compound
(2Z)-3-(3-chloro-4-ethoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STL505924
SMILES CCOc1ccc(cc1Cl)/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 C14H14ClN3O3S MW 339.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14ClN3O3S/c1-3-21-11-5-4-9(6-10(11)15)7-12(13(19)20)22-14-16-8(2)17-18-14/h4-7H,3H2,1-2H3,(H,19,20)(H,16,17,18)/b12-7-InChIKey
WHXLICCZIDBBHM-GHXNOFRVSA-NSynonyms
585559-88-2(~(Z))3(3chloro4ethoxyphenyl)2((5methyl1~(H)124triazol3yl)sulfanyl)prop2enoicacid
(2Z)3(3chloro4ethoxyphenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(Z)3(3chloro4ethoxyphenyl)2((5methyl4H124triazol3yl)thio)acrylicacid
585559882
937522
CCOc1ccc(cc1Cl)C=C(C(=O)O)Sc1nnc((nH)1)C
MFCD04028400
ZINC000005906706
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