Vitas-M small molecule compound
(2Z)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STL505115
SMILES Clc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=C(/C(=O)O)\Sc1nnc([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 C16H11ClN4O5S MW 406.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN4O5S/c1-8-18-16(20-19-8)27-14(15(22)23)7-10-3-5-13(26-10)11-4-2-9(17)6-12(11)21(24)25/h2-7H,1H3,(H,22,23)(H,18,19,20)/b14-7-InChIKey
KZPLKQATHMWMSX-AUWJEWJLSA-NSynonyms
(~(Z))3(5(4chloro2nitrophenyl)furan2yl)2((5methyl1~(H)124triazol3yl)sulfanyl)prop2enoicacid
(2Z)3(5(4chloro2nitrophenyl)furan2yl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
124314774
InChI=1SC16H11ClN4O5Sc181816(20198)2714(15(22)23)7103513(2610)11429(17)612(11)21(24)25h27H1H3(H2223)(H181920)b147
MFCD04549348
ZINC000006588304
ZINC6588304
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