Vitas-M small molecule compound
(2Z)-3-{5-[4-chloro-3-(methoxycarbonyl)phenyl]furan-2-yl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STL505114
SMILES COC(=O)c1cc(ccc1Cl)c1ccc(o1)/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 C18H14ClN3O5S MW 419.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClN3O5S/c1-9-20-18(22-21-9)28-15(16(23)24)8-11-4-6-14(27-11)10-3-5-13(19)12(7-10)17(25)26-2/h3-8H,1-2H3,(H,23,24)(H,20,21,22)/b15-8-InChIKey
IZYGYUJDQINTKP-NVNXTCNLSA-NSynonyms
(~(Z))3(5(4chloro3methoxycarbonylphenyl)furan2yl)2((5methyl1~(H)124triazol3yl)sulfanyl)prop2enoicacid
(2Z)3(5(4chloro3(methoxycarbonyl)phenyl)furan2yl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(E)3(5(4chloro3(methoxycarbonyl)phenyl)furan2yl)2((5methyl4H124triazol3yl)thio)acrylicacid
2041474
COC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C(C(=O)O)Sc1nnc((nH)1)C
InChI=1SC18H14ClN3O5Sc192018(22219)2815(16(23)24)8114614(2711)103513(19)12(710)17(25)262h38H12H3(H2324)(H202122)b158
MFCD04482358
ZINC000033332420
ZINC33332420
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