Vitas-M small molecule compound
(2E)-3-[5-(5-carboxy-2-chlorophenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STK567625
SMILES [O-]C(=O)/C(=C\c1ccc(o1)c1cc(ccc1Cl)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)11-6-9(15(22)23)2-4-12(11)18/h2-7H,1H3,(H,22,23)(H,24,25)(H,19,20,21)/b14-7+InChIKey
GRLWAWCWEBPNEF-VGOFMYFVSA-NSynonyms
578698-42-7(2E)3(5(5carboxy2chlorophenyl)furan2yl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(O)C(=O)C(=Cc1ccc(o1)c1cc(ccc1Cl)C(=O)O)Sc1(nH)nc((nH+)1)C
3(5((E)2carboxy2((5methyl1H124triazol3yl)sulfanyl)ethenyl)furan2yl)4chlorobenzoicacid
4CHLORO3(5((E)3HYDROXY2((5METHYL1H124TRIAZOL3YL)SULFANYL)3OXOPROP1ENYL)FURAN2YL)BENZOICACID
578698427
CC1=NC(=NN1)SC(=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl)C(=O)O
InChI=1SC17H12ClN3O5Sc181917(21208)2714(16(24)25)7103513(2610)1169(15(22)23)2412(11)18h27H1H3(H2223)(H2425)(H192021)b147+
MFCD05737516
ZINC000006129834
ZINC6129834
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