Vitas-M small molecule compound
ethyl 8-chloro-2-methyl-3-(2-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092814
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Cl)cc1)c1ccccc1C
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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 C21H21ClN2O3S MW 416.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O3S/c1-4-26-19(25)17-18-14-11-13(22)9-10-16(14)27-21(17,3)24(20(28)23-18)15-8-6-5-7-12(15)2/h5-11,17-18H,4H2,1-3H3,(H,23,28)InChIKey
TYECJJXPPYUUNM-UHFFFAOYSA-NSynonyms
1005038-15-21005038152
CCOC(=O)C1C2C3=C(C=CC(=C3)Cl)OC1(N(C(=S)N2)C4=CC=CC=C4C)C
ethyl8chloro2methyl3(2methylphenyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC21H21ClN2O3Sc142619(25)1718141113(22)91016(14)2721(173)24(20(28)2318)15865712(15)2h5111718H4H213H3(H2328)
MFCD04445089
ZINC000100029609
ZINC000100029612
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