Vitas-M small molecule compound
propan-2-yl 4-[({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK770272
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OC(C)C)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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-4-11-25-19(17-6-5-12-28-17)23-24-21(25)30-13-18(26)22-16-9-7-15(8-10-16)20(27)29-14(2)3/h4-10,12,14H,1,11,13H2,2-3H3,(H,22,26)InChIKey
KJEWCBUTPOMEKU-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3
InChI=1SC21H22N4O4Sc14112519(1765122817)232421(25)301318(26)22169715(81016)20(27)2914(2)3h4101214H11113H223H3(H2226)
MFCD03765939
propan2yl4((((5(furan2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
PROPAN2YL4((2((5(FURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000003622925
ZINC03622925
ZINC3622925
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