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

Catalog ID
STK568937
SMILES [O-]C(=O)/C(=C/c1ccc(o1)c1ccc(c(c1)Cl)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 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-N
Synonyms
577765-60-7
(2Z)3(5(4carboxy3chlorophenyl)furan2yl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(O)C(=O)C(=Cc1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)Sc1(nH)nc((nH+)1)C
2CHLORANYL4(5((Z)2((5METHYL1H124TRIAZOL3YL)SULFANYL)3OXIDANYL3OXIDANYLIDENEPROP1ENYL)FURAN2YL)BENZOICACID
2CHLORO4(5((Z)3HYDROXY2((5METHYL1H124TRIAZOL3YL)SULFANYL)3OXOPROP1ENYL)FURAN2YL)BENZOICACID
4(5((Z)2CARBOXY2((5METHYL1H124TRIAZOL3YL)SULFANYL)ETHENYL)FURAN2YL)2CHLOROBENZOICACID
4(5((Z)2CARBOXY2((5METHYL1H124TRIAZOL3YL)THIO)ETHENYL)2FURANYL)2CHLOROBENZOICACID
4(5((Z)2CARBOXY2((5METHYL1H124TRIAZOL3YL)THIO)VINYL)2FURYL)2CHLOROBENZOICACID
4(5((Z)2CARBOXY2(5METHYL4H(124)TRIAZOL3YLSULFANYL)VINYL)FURAN2YL)2CHLOROBENZOICACID
CC1=NC(=NN1)SC(=CC2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)C(=O)O
InChI=1SC17H12ClN3O5Sc181917(21208)2714(16(24)25)7103513(2610)92411(15(22)23)12(18)69h27H1H3(H2223)(H2425)(H192021)b147
MFCD05731900
ZINC9350922

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Available files

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