Vitas-M small molecule compound
3-[({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK187534
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1c1ccco1
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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 C18H16N4O4S MW 384.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4S/c1-2-8-22-16(14-7-4-9-26-14)20-21-18(22)27-11-15(23)19-13-6-3-5-12(10-13)17(24)25/h2-7,9-10H,1,8,11H2,(H,19,23)(H,24,25)InChIKey
DGWWLQVWPYEYOW-UHFFFAOYSA-NSynonyms
3((((5(FURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((5(FURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CO3
InChI=1SC18H16N4O4Sc1282216(147492614)202118(22)271115(23)191363512(1013)17(24)25h27910H1811H2(H1923)(H2425)
MFCD06666054
ZINC000004723793
ZINC4723793
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