Vitas-M small molecule compound
ethyl 3-(3-chlorophenyl)-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094375
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(OC)cc1)c1cccc(c1)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 C21H21ClN2O4S MW 432.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O4S/c1-4-27-19(25)17-18-15-11-14(26-3)8-9-16(15)28-21(17,2)24(20(29)23-18)13-7-5-6-12(22)10-13/h5-11,17-18H,4H2,1-3H3,(H,23,29)InChIKey
MKPZTTUQORLWMH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C2C3=C(C=CC(=C3)OC)OC1(N(C(=S)N2)C4=CC(=CC=C4)Cl)C
ethyl3(3chlorophenyl)8methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC21H21ClN2O4Sc142719(25)1718151114(263)8916(15)2821(172)24(20(29)2318)1375612(22)1013h5111718H4H213H3(H2329)
MFCD15085838
ZINC000100029566
ZINC000100029568
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