Vitas-M small molecule compound
2-methoxy-N-[(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Catalog ID
STK221553
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1C)CNC(=O)c1ccccc1OC
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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/c1-25-19(12-22-20(27)16-6-4-5-7-18(16)29-3)23-24-21(25)30-13-17(26)14-8-10-15(28-2)11-9-14/h4-11H,12-13H2,1-3H3,(H,22,27)InChIKey
CBTWGOXJDAEOLS-UHFFFAOYSA-NSynonyms
2METHOXYN((5((2(4METHOXYPHENYL)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
2METHOXYN((5(2(4METHOXYPHENYL)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CNC(=O)C3=CC=CC=C3OC
InChI=1SC21H22N4O4Sc12519(122220(27)16645718(16)293)232421(25)301317(26)1481015(282)11914h411H1213H213H3(H2227)
MFCD07403231
ZINC000009262797
ZINC09262797
ZINC9262797
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