Vitas-M small molecule compound
8-chloro-2,11-dimethyl-3-(prop-2-en-1-yl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Catalog ID
STL094519
SMILES C=CCN1C(=S)NC2C(C1(C)Oc1c2cc(cc1)Cl)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 C15H17ClN2OS MW 308.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17ClN2OS/c1-4-7-18-14(20)17-13-9(2)15(18,3)19-12-6-5-10(16)8-11(12)13/h4-6,8-9,13H,1,7H2,2-3H3,(H,17,20)InChIKey
RRGHKECXLKPYSB-UHFFFAOYSA-NSynonyms
8chloro211dimethyl3(prop2en1yl)2356tetrahydro4H26methano135benzoxadiazocine4thione
CC1C2C3=C(C=CC(=C3)Cl)OC1(N(C(=S)N2)CC=C)C
InChI=1SC15H17ClN2OSc1471814(20)17139(2)15(183)19126510(16)811(12)13h468913H17H223H3(H1720)
MFCD14725985
ZINC000101243860
ZINC000101243864
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