Vitas-M small molecule compound
ethyl 3-(2-methoxyphenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092834
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1)c1ccccc1OC
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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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-4-26-19(24)17-18-13-9-5-7-11-15(13)27-21(17,2)23(20(28)22-18)14-10-6-8-12-16(14)25-3/h5-12,17-18H,4H2,1-3H3,(H,22,28)InChIKey
UCNJAWQCIOABSK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C2C3=CC=CC=C3OC1(N(C(=S)N2)C4=CC=CC=C4OC)C
ethyl3(2methoxyphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC21H22N2O4Sc142619(24)1718139571115(13)2721(172)23(20(28)2218)1410681216(14)253h5121718H4H213H3(H2228)
MFCD15085855
ZINC000100029729
ZINC000100029733
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