Vitas-M small molecule compound

3-(2-methoxyphenyl)-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione

Catalog ID
STL092778
SMILES COc1ccccc1N1C(=S)NC2C(C1(C)Oc1c2cccc1)C

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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 C19H20N2O2S MW 340.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O2S/c1-12-17-13-8-4-6-10-15(13)23-19(12,2)21(18(24)20-17)14-9-5-7-11-16(14)22-3/h4-12,17H,1-3H3,(H,20,24)
InChIKey
DJIOKWUHKABHEP-UHFFFAOYSA-N
Synonyms
1291836-51-5
1291836515
3(2methoxyphenyl)211dimethyl2356tetrahydro4H26methano135benzoxadiazocine4thione
CC1C2C3=CC=CC=C3OC1(N(C(=S)N2)C4=CC=CC=C4OC)C
InChI=1SC19H20N2O2Sc11217138461015(13)2319(122)21(18(24)2017)149571116(14)223h41217H13H3(H2024)
MFCD18787041
ZINC000100032816
ZINC000100032821

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Available files

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