Vitas-M small molecule compound
ethyl 3-[4-(ethoxycarbonyl)phenyl]-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092808
SMILES CCOC(=O)c1ccc(cc1)N1C(=S)NC2C(C1(C)Oc1c2cccc1)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 C23H24N2O5S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O5S/c1-4-28-20(26)14-10-12-15(13-11-14)25-22(31)24-19-16-8-6-7-9-17(16)30-23(25,3)18(19)21(27)29-5-2/h6-13,18-19H,4-5H2,1-3H3,(H,24,31)InChIKey
ZECAAYRMCCAJIM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C2C3=CC=CC=C3OC1(N(C(=S)N2)C4=CC=C(C=C4)C(=O)OCC)C
ethyl3(4(ethoxycarbonyl)phenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC23H24N2O5Sc142820(26)14101215(131114)2522(31)241916867917(16)3023(253)18(19)21(27)2952h6131819H45H213H3(H2431)
MFCD15085876
ZINC000100029996
ZINC000216176414
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