Vitas-M small molecule compound
3-(4-fluorophenyl)-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Catalog ID
STL094497
SMILES Fc1ccc(cc1)N1C(=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 C18H17FN2OS MW 328.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17FN2OS/c1-11-16-14-5-3-4-6-15(14)22-18(11,2)21(17(23)20-16)13-9-7-12(19)8-10-13/h3-11,16H,1-2H3,(H,20,23)InChIKey
VKXXSOQCNNQBBU-UHFFFAOYSA-NSynonyms
3(4fluorophenyl)211dimethyl2356tetrahydro4H26methano135benzoxadiazocine4thione
CC1C2C3=CC=CC=C3OC1(N(C(=S)N2)C4=CC=C(C=C4)F)C
InChI=1SC18H17FN2OSc1111614534615(14)2218(112)21(17(23)2016)139712(19)81013h31116H12H3(H2023)
MFCD14749839
ZINC000101390375
ZINC000101390379
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