Vitas-M small molecule compound
(2E)-3-{5-[4-(methoxycarbonyl)phenyl]furan-2-yl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL041018
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)/C=C(\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 C18H15N3O5S MW 385.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O5S/c1-10-19-18(21-20-10)27-15(16(22)23)9-13-7-8-14(26-13)11-3-5-12(6-4-11)17(24)25-2/h3-9H,1-2H3,(H,22,23)(H,19,20,21)/b15-9+InChIKey
ORHOSDZWUXQBCG-OQLLNIDSSA-NSynonyms
587011-77-6(2E)3(5(4(methoxycarbonyl)phenyl)furan2yl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)3(5(4METHOXYCARBONYLPHENYL)FURAN2YL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
587011776
CC1=NC(=NN1)SC(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC)C(=O)O
COC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC18H15N3O5Sc1101918(212010)2715(16(22)23)9137814(2613)113512(6411)17(24)252h39H12H3(H2223)(H192021)b159+
MFCD05730376
ZINC000005721337
ZINC5721337
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