Vitas-M small molecule compound
4-[({[5-(3,4-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK267204
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)O)nnc1c1ccc(c(c1)OC)OC
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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 C22H22N4O5S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5S/c1-4-11-26-20(15-7-10-17(30-2)18(12-15)31-3)24-25-22(26)32-13-19(27)23-16-8-5-14(6-9-16)21(28)29/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)(H,28,29)InChIKey
VLCLHYHQZJGAOI-UHFFFAOYSA-NSynonyms
4((((5(34DIMETHOXYPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4((2((5(34dimethoxyphenyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)C(=O)O)OC
InChI=1SC22H22N4O5Sc14112620(1571017(302)18(1215)313)242522(26)321319(27)23168514(6916)21(28)29h41012H11113H223H3(H2327)(H2829)
MFCD09267847
ZINC000009582978
ZINC9582978
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