Vitas-M small molecule compound
methyl 3-(2-ethylphenyl)-10-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL134508
SMILES COC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OC)c1ccccc1CC
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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 C22H24N2O4S MW 412.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O4S/c1-5-13-9-6-7-11-15(13)24-21(29)23-18-14-10-8-12-16(26-3)19(14)28-22(24,2)17(18)20(25)27-4/h6-12,17-18H,5H2,1-4H3,(H,23,29)InChIKey
KRPLFLXWXJELGY-UHFFFAOYSA-NSynonyms
CCC1=CC=CC=C1N2C(=S)NC3C(C2(OC4=C3C=CC=C4OC)C)C(=O)OC
InChI=1SC22H24N2O4Sc15139671115(13)2421(29)2318141081216(263)19(14)2822(242)17(18)20(25)274h6121718H5H214H3(H2329)
methyl3(2ethylphenyl)10methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
MFCD14746271
ZINC000101369013
ZINC000104771115
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