Vitas-M small molecule compound

N-(4-methoxyphenyl)-3-(3-methoxypropyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide

Catalog ID
STL166040
SMILES COCCCN1C(=S)NC2C(C1(C)Oc1c2cccc1)C(=O)Nc1ccc(cc1)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 C23H27N3O4S MW 441.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O4S/c1-23-19(21(27)24-15-9-11-16(29-3)12-10-15)20(17-7-4-5-8-18(17)30-23)25-22(31)26(23)13-6-14-28-2/h4-5,7-12,19-20H,6,13-14H2,1-3H3,(H,24,27)(H,25,31)
InChIKey
ZYEMSLMVSAXYLQ-UHFFFAOYSA-N
Synonyms

CC12C(C(C3=CC=CC=C3O1)NC(=S)N2CCCOC)C(=O)NC4=CC=C(C=C4)OC
InChI=1SC23H27N3O4Sc12319(21(27)241591116(293)121015)20(17745818(17)3023)2522(31)26(23)13614282h457121920H61314H213H3(H2427)(H2531)
MFCD15085970
N(4methoxyphenyl)3(3methoxypropyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000169691366
ZINC000242750736

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.