Vitas-M small molecule compound
prop-2-en-1-yl 3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094416
SMILES C=CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1)Cc1ccc2c(c1)OCO2
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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 C23H22N2O5S MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S/c1-3-10-27-21(26)19-20-15-6-4-5-7-16(15)30-23(19,2)25(22(31)24-20)12-14-8-9-17-18(11-14)29-13-28-17/h3-9,11,19-20H,1,10,12-13H2,2H3,(H,24,31)InChIKey
QAYYWZOQCSSFSR-UHFFFAOYSA-NSynonyms
CC12C(C(C3=CC=CC=C3O1)NC(=S)N2CC4=CC5=C(C=C4)OCO5)C(=O)OCC=C
InChI=1SC23H22N2O5Sc13102721(26)192015645716(15)3023(192)25(22(31)2420)1214891718(1114)29132817h39111920H1101213H22H3(H2431)
MFCD18788140
prop2en1yl3(13benzodioxol5ylmethyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
ZINC000106549956
ZINC000106549958
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Check stock on Vitas-MAvailable files
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