Vitas-M small molecule compound
ethyl (2S)-2,3-dimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL168821
SMILES CCOC(=O)C1C2NC(=S)N([C@@]1(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 C15H18N2O3S MW 306.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N2O3S/c1-4-19-13(18)11-12-9-7-5-6-8-10(9)20-15(11,2)17(3)14(21)16-12/h5-8,11-12H,4H2,1-3H3,(H,16,21)/t11?,12?,15-/m0/s1InChIKey
RCNSZQWRVQZEKU-QOZQQMKHSA-NSynonyms
CCOC(=O)C1C2C3=CC=CC=C3OC1(N(C(=S)N2)C)C
CCOC(=O)C1C2NC(=S)N((C@@)1(C)Oc1c2cccc1)C
ethyl(2S)23dimethyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC15H18N2O3Sc141913(18)11129756810(9)2015(112)17(3)14(21)1612h581112H4H213H3(H1621)t11?12?15m0s1
MFCD20731956
ZINC000001469172
ZINC000001469173
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