Vitas-M small molecule compound
8,10-dichloro-N-(2,4-dimethylphenyl)-3-(3-methoxypropyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192567
SMILES COCCCN1C(=S)NC2C(C1(C)Oc1c2cc(cc1Cl)Cl)C(=O)Nc1ccc(cc1C)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 C24H27Cl2N3O3S MW 508.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27Cl2N3O3S/c1-13-6-7-18(14(2)10-13)27-22(30)19-20-16-11-15(25)12-17(26)21(16)32-24(19,3)29(23(33)28-20)8-5-9-31-4/h6-7,10-12,19-20H,5,8-9H2,1-4H3,(H,27,30)(H,28,33)InChIKey
BUAKBUREXQMIFM-UHFFFAOYSA-NSynonyms
810dichloroN(24dimethylphenyl)3(3methoxypropyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC(=C(C=C1)NC(=O)C2C3C4=CC(=CC(=C4OC2(N(C(=S)N3)CCCOC)C)Cl)Cl)C
InChI=1SC24H27Cl2N3O3Sc1136718(14(2)1013)2722(30)1920161115(25)1217(26)21(16)3224(193)29(23(33)2820)859314h6710121920H589H214H3(H2730)(H2833)
MFCD22390750
ZINC000101353140
ZINC000101353141
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