Vitas-M small molecule compound

10-ethoxy-3-(4-ethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione

Catalog ID
STL094411
SMILES CCOc1cccc2c1OC1(C)CC2NC(=S)N1c1ccc(cc1)CC

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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 C21H24N2O2S MW 368.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O2S/c1-4-14-9-11-15(12-10-14)23-20(26)22-17-13-21(23,3)25-19-16(17)7-6-8-18(19)24-5-2/h6-12,17H,4-5,13H2,1-3H3,(H,22,26)
InChIKey
AITNBRZIZQFNSI-UHFFFAOYSA-N
Synonyms
702655-92-3
10ethoxy3(4ethylphenyl)2methyl2356tetrahydro4H26methano135benzoxadiazocine4thione
702655923
CCC1=CC=C(C=C1)N2C(=S)NC3CC2(OC4=C3C=CC=C4OCC)C
InChI=1SC21H24N2O2Sc141491115(121014)2320(26)22171321(233)251916(17)76818(19)2452h61217H4513H213H3(H2226)
MFCD15086241
ZINC000002963394

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Available files

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