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(2E)-3-[5-(4-carboxyphenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate

Catalog ID
STL054246
SMILES [O-]C(=O)/C(=C\c1ccc(o1)c1ccc(cc1)C(=O)O)/Sc1[nH]nc([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 C17H13N3O5S MW 371.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5S/c1-9-18-17(20-19-9)26-14(16(23)24)8-12-6-7-13(25-12)10-2-4-11(5-3-10)15(21)22/h2-8H,1H3,(H,21,22)(H,23,24)(H,18,19,20)/b14-8+
InChIKey
NFPAYMHTJZCVDP-RIYZIHGNSA-N
Synonyms
678147-93-8
(2E)3(5(4carboxyphenyl)furan2yl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(O)C(=O)C(=Cc1ccc(o1)c1ccc(cc1)C(=O)O)Sc1(nH)nc((nH+)1)C
4(5((E)2((5METHYL1H124TRIAZOL3YL)SULFANYL)3OXIDANYL3OXIDANYLIDENEPROP1ENYL)FURAN2YL)BENZOICACID
4(5((E)2CARBOXY2((5METHYL1H124TRIAZOL3YL)SULFANYL)ETHENYL)FURAN2YL)BENZOICACID
4(5((E)2CARBOXY2((5METHYL1H124TRIAZOL3YL)THIO)ETHENYL)2FURANYL)BENZOICACID
4(5((E)2CARBOXY2((5METHYL1H124TRIAZOL3YL)THIO)VINYL)2FURYL)BENZOICACID
4(5((E)2CARBOXY2(5METHYL4H(124)TRIAZOL3YLSULFANYL)VINYL)FURAN2YL)BENZOICACID
4(5((E)3HYDROXY2((5METHYL1H124TRIAZOL3YL)SULFANYL)3OXOPROP1ENYL)FURAN2YL)BENZOICACID
678147938
CC1=NC(=NN1)SC(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)C(=O)O
InChI=1SC17H13N3O5Sc191817(20199)2614(16(23)24)8126713(2512)102411(5310)15(21)22h28H1H3(H2122)(H2324)(H181920)b148+
MFCD05726412
ZINC000006129839
ZINC6129839

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Available files

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