Vitas-M small molecule compound
(2E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL042902
SMILES Clc1ccc(c(c1)Cl)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 C16H11Cl2N3O3S MW 396.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11Cl2N3O3S/c1-8-19-16(21-20-8)25-14(15(22)23)7-10-3-5-13(24-10)11-4-2-9(17)6-12(11)18/h2-7H,1H3,(H,22,23)(H,19,20,21)/b14-7+InChIKey
JCFIPFFHLOVNIZ-VGOFMYFVSA-NSynonyms
679804-31-0(2E)3(5(24dichlorophenyl)furan2yl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)3(5(24DICHLOROPHENYL)FURAN2YL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CC1=NC(=NN1)SC(=CC2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O
Clc1ccc(c(c1)Cl)c1ccc(o1)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC16H11Cl2N3O3Sc181916(21208)2514(15(22)23)7103513(2410)11429(17)612(11)18h27H1H3(H2223)(H192021)b147+
MFCD05738325
ZINC9329197
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