Vitas-M small molecule compound
ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092802
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OC)CCc1ccc(c(c1)OC)OC
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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 C25H30N2O6S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O6S/c1-6-32-23(28)20-21-16-8-7-9-18(30-4)22(16)33-25(20,2)27(24(34)26-21)13-12-15-10-11-17(29-3)19(14-15)31-5/h7-11,14,20-21H,6,12-13H2,1-5H3,(H,26,34)InChIKey
CZWAGQQDVQLCFY-UHFFFAOYSA-NSynonyms
1005264-65-21005264652
CCOC(=O)C1C2C3=C(C(=CC=C3)OC)OC1(N(C(=S)N2)CCC4=CC(=C(C=C4)OC)OC)C
ethyl3(2(34dimethoxyphenyl)ethyl)10methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC25H30N2O6Sc163223(28)20211687918(304)22(16)3325(202)27(24(34)2621)131215101117(293)19(1415)315h711142021H61213H215H3(H2634)
MFCD04445096
ZINC000100890020
ZINC000100890021
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