Vitas-M small molecule compound
ethyl 4-(2,11-dimethyl-4-thioxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
Catalog ID
STL094501
SMILES CCOC(=O)c1ccc(cc1)N1C(=S)NC2C(C1(C)Oc1c2cccc1)C
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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 C21H22N2O3S MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S/c1-4-25-19(24)14-9-11-15(12-10-14)23-20(27)22-18-13(2)21(23,3)26-17-8-6-5-7-16(17)18/h5-13,18H,4H2,1-3H3,(H,22,27)InChIKey
JGRLGWDHVRYQEY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=S)NC3C(C2(OC4=CC=CC=C34)C)C
ethyl4(211dimethyl4thioxo56dihydro2H26methano135benzoxadiazocin3(4H)yl)benzoate
InChI=1SC21H22N2O3Sc142519(24)1491115(121014)2320(27)221813(2)21(233)2617865716(17)18h51318H4H213H3(H2227)
MFCD14749840
ZINC000101390407
ZINC000245258099
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