Vitas-M small molecule compound
{2-methoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
Catalog ID
STK327052
SMILES COc1cc(ccc1OCC(=O)O)C1Nc2ccccc2c2c(O1)nc(SC)nn2
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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 C20H18N4O5S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O5S/c1-27-15-9-11(7-8-14(15)28-10-16(25)26)18-21-13-6-4-3-5-12(13)17-19(29-18)22-20(30-2)24-23-17/h3-9,18,21H,10H2,1-2H3,(H,25,26)InChIKey
JPGNJVSHOVCPPV-UHFFFAOYSA-NSynonyms
(2methoxy4(3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenoxy)aceticacid
2(2METHOXY4(3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOXY)ACETICACID
COC1=C(C=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)OCC(=O)O
InChI=1SC20H18N4O5Sc12715911(7814(15)281016(25)26)182113643512(13)1719(2918)2220(302)242317h391821H10H212H3(H2526)
MFCD02639120
ZINC000002977818
ZINC000002977819
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