Vitas-M small molecule compound
4-(5-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}furan-2-yl)-2-chlorobenzoic acid
Catalog ID
STL505134
SMILES OC(=O)/C(=C/c1ccc(o1)c1ccc(c(c1)Cl)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 C17H12ClN3O5S MW 405.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClN3O5S/c1-8-19-17(21-20-8)27-14(16(24)25)7-10-3-5-13(26-10)9-2-4-11(15(22)23)12(18)6-9/h2-7H,1H3,(H,22,23)(H,24,25)(H,19,20,21)/b14-7-InChIKey
FSTMVTJCUXGKFP-AUWJEWJLSA-NSynonyms
577765-60-7(Z)4(5(2carboxy2((5methyl4H124triazol3yl)thio)vinyl)furan2yl)2chlorobenzoicacid
1625680
4(5((~(Z))2carboxy2((5methyl1~(H)124triazol3yl)sulfanyl)ethenyl)furan2yl)2chlorobenzoicacid
4(5((Z)2carboxy2((5methyl4H124triazol3yl)sulfanyl)ethenyl)furan2yl)2chlorobenzoicacid
577765607
MFCD04019001
OC(=O)C(=Cc1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)Sc1nnc((nH)1)C
ZINC000009350922
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