Vitas-M small molecule compound
8-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Catalog ID
STL094511
SMILES COc1cc(CCN2C(=S)NC3C(C2(C)Oc2c3cc(cc2)Cl)C)ccc1OC
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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 C22H25ClN2O3S MW 432.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClN2O3S/c1-13-20-16-12-15(23)6-8-17(16)28-22(13,2)25(21(29)24-20)10-9-14-5-7-18(26-3)19(11-14)27-4/h5-8,11-13,20H,9-10H2,1-4H3,(H,24,29)InChIKey
KIXXWRCTCAYZGE-UHFFFAOYSA-NSynonyms
8chloro3(2(34dimethoxyphenyl)ethyl)211dimethyl2356tetrahydro4H26methano135benzoxadiazocine4thione
CC1C2C3=C(C=CC(=C3)Cl)OC1(N(C(=S)N2)CCC4=CC(=C(C=C4)OC)OC)C
InChI=1SC22H25ClN2O3Sc11320161215(23)6817(16)2822(132)25(21(29)2420)109145718(263)19(1114)274h58111320H910H214H3(H2429)
MFCD14725979
ZINC000101269701
ZINC000101269704
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