Vitas-M small molecule compound

ethyl 8,10-dichloro-3-(3-methoxypropyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate

Catalog ID
STL094429
SMILES COCCCN1C(=S)NC2C(C1(C)Oc1c2cc(cc1Cl)Cl)C(=O)OCC

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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 C18H22Cl2N2O4S MW 433.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22Cl2N2O4S/c1-4-25-16(23)13-14-11-8-10(19)9-12(20)15(11)26-18(13,2)22(17(27)21-14)6-5-7-24-3/h8-9,13-14H,4-7H2,1-3H3,(H,21,27)
InChIKey
CTVUBMOBBLAKKL-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C2C3=CC(=CC(=C3OC1(N(C(=S)N2)CCCOC)C)Cl)Cl
ethyl810dichloro3(3methoxypropyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC18H22Cl2N2O4Sc142516(23)131411810(19)912(20)15(11)2618(132)22(17(27)2114)657243h891314H47H213H3(H2127)
MFCD15085884
ZINC000100030081
ZINC000100030083

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.