Vitas-M small molecule compound
N-(4-chlorophenyl)-3-ethyl-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL166015
SMILES CCN1C(=S)NC2C(C1(C)Oc1c2cccc1)C(=O)Nc1ccc(cc1)Cl
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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 C20H20ClN3O2S MW 401.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O2S/c1-3-24-19(27)23-17-14-6-4-5-7-15(14)26-20(24,2)16(17)18(25)22-13-10-8-12(21)9-11-13/h4-11,16-17H,3H2,1-2H3,(H,22,25)(H,23,27)InChIKey
HELMWCMSJLOZLM-UHFFFAOYSA-NSynonyms
1005079-52-61005079526
CCN1C(=S)NC2C(C1(OC3=CC=CC=C23)C)C(=O)NC4=CC=C(C=C4)Cl
InChI=1SC20H20ClN3O2Sc132419(27)231714645715(14)2620(242)16(17)18(25)221310812(21)91113h4111617H3H212H3(H2225)(H2327)
MFCD15086181
N(4chlorophenyl)3ethyl2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100031577
ZINC000242498439
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