Vitas-M small molecule compound

2-methyl-3-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione

Catalog ID
STL080879
SMILES S=C1NC2CC(N1c1ccc(cc1)C(C)C)(C)Oc1c2cccc1

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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 C20H22N2OS MW 338.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2OS/c1-13(2)14-8-10-15(11-9-14)22-19(24)21-17-12-20(22,3)23-18-7-5-4-6-16(17)18/h4-11,13,17H,12H2,1-3H3,(H,21,24)
InChIKey
QHVZPDZSZNBGRJ-UHFFFAOYSA-N
Synonyms
1019149-05-3
1019149053
2methyl3(4(propan2yl)phenyl)2356tetrahydro4H26methano135benzoxadiazocine4thione
CC(C)C1=CC=C(C=C1)N2C(=S)NC3CC2(OC4=CC=CC=C34)C
InChI=1SC20H22N2OSc113(2)1481015(11914)2219(24)21171220(223)2318754616(17)18h4111317H12H213H3(H2124)
MFCD14942882
ZINC000101094747

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Available files

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