Vitas-M small molecule compound
10-ethoxy-3-(4-ethoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Catalog ID
STL094400
SMILES CCOc1ccc(cc1)N1C(=S)NC2CC1(C)Oc1c2cccc1OCC
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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 C21H24N2O3S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3S/c1-4-24-15-11-9-14(10-12-15)23-20(27)22-17-13-21(23,3)26-19-16(17)7-6-8-18(19)25-5-2/h6-12,17H,4-5,13H2,1-3H3,(H,22,27)InChIKey
HKNUCODTQWPLTH-UHFFFAOYSA-NSynonyms
10ethoxy3(4ethoxyphenyl)2methyl2356tetrahydro4H26methano135benzoxadiazocine4thione
CCOC1=CC=C(C=C1)N2C(=S)NC3CC2(OC4=C3C=CC=C4OCC)C
InChI=1SC21H24N2O3Sc14241511914(101215)2320(27)22171321(233)261916(17)76818(19)2552h61217H4513H213H3(H2227)
MFCD15086246
ZINC000100032099
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