Vitas-M small molecule compound
ethyl 8-methoxy-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092799
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(OC)cc1)c1ccccc1
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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)17-18-15-12-14(25-3)10-11-16(15)27-21(17,2)23(20(28)22-18)13-8-6-5-7-9-13/h5-12,17-18H,4H2,1-3H3,(H,22,28)InChIKey
YGNKUSRUTKJJKQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C2C3=C(C=CC(=C3)OC)OC1(N(C(=S)N2)C4=CC=CC=C4)C
ethyl8methoxy2methyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC21H22N2O4Sc142619(24)1718151214(253)101116(15)2721(172)23(20(28)2218)138657913h5121718H4H213H3(H2228)
MFCD15085828
ZINC000100029522
ZINC000100029525
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