Vitas-M small molecule compound
4-[({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK130722
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)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/c1-2-9-22-16(14-4-3-10-26-14)20-21-18(22)27-11-15(23)19-13-7-5-12(6-8-13)17(24)25/h2-8,10H,1,9,11H2,(H,19,23)(H,24,25)InChIKey
COKZLESBSBRZAK-UHFFFAOYSA-NSynonyms
4((((5(FURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4((2((5(FURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=CO3
InChI=1SC18H16N4O4Sc1292216(1443102614)202118(22)271115(23)19137512(6813)17(24)25h2810H1911H2(H1923)(H2425)
MFCD05992169
ZINC000002859648
ZINC2859648
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