Vitas-M small molecule compound
8,10-dichloro-N-(2,4-dimethylphenyl)-3-(2-methoxyethyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192568
SMILES COCCN1C(=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 C23H25Cl2N3O3S MW 494.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25Cl2N3O3S/c1-12-5-6-17(13(2)9-12)26-21(29)18-19-15-10-14(24)11-16(25)20(15)31-23(18,3)28(7-8-30-4)22(32)27-19/h5-6,9-11,18-19H,7-8H2,1-4H3,(H,26,29)(H,27,32)InChIKey
FNHWCHYJAUKOSQ-UHFFFAOYSA-NSynonyms
810dichloroN(24dimethylphenyl)3(2methoxyethyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC(=C(C=C1)NC(=O)C2C3C4=CC(=CC(=C4OC2(N(C(=S)N3)CCOC)C)Cl)Cl)C
InChI=1SC23H25Cl2N3O3Sc1125617(13(2)912)2621(29)1819151014(24)1116(25)20(15)3123(183)28(78304)22(32)2719h569111819H78H214H3(H2629)(H2732)
MFCD22390751
ZINC000101353138
ZINC000101353139
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