Vitas-M small molecule compound
ethyl (2S)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STK723309
SMILES CCOC(=O)C1C2NC(=S)N[C@@]1(C)Oc1c2cccc1
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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 C14H16N2O3S MW 292.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O3S/c1-3-18-12(17)10-11-8-6-4-5-7-9(8)19-14(10,2)16-13(20)15-11/h4-7,10-11H,3H2,1-2H3,(H2,15,16,20)/t10?,11?,14-/m0/s1InChIKey
RTLLPSILKQLBGZ-MGULZYLOSA-NSynonyms
295313-84-7295313847
CCOC(=O)C1C2C3=CC=CC=C3OC1(NC(=S)N2)C
CCOC(=O)C1C2NC(=S)N(C@@)1(C)Oc1c2cccc1
ethyl(2S)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC14H16N2O3Sc131812(17)1011864579(8)1914(102)1613(20)1511h471011H3H212H3(H2151620)t10?11?14m0s1
MFCD00298732
ZINC000100033824
ZINC000100033828
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