Vitas-M small molecule compound
ethyl N-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}glycinate
Catalog ID
STL553367
SMILES CCOC(=O)CNC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1
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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 C16H21N3O3S MW 335.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O3S/c1-2-22-15(21)7-17-16(23)18-8-11-6-12(10-18)13-4-3-5-14(20)19(13)9-11/h3-5,11-12H,2,6-10H2,1H3,(H,17,23)/t11-,12?/m0/s1InChIKey
BACYTRKVBZRSBO-PXYINDEMSA-NSynonyms
1212173-75-51212173755
16400348
CCOC(=O)CNC(=S)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ethyl2(((9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)amino)acetate
ethyl2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)acetate
ethylN(((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)glycinate
InChI=1SC16H21N3O3Sc122215(21)71716(23)18811612(1018)1343514(20)19(13)911h351112H2610H21H3(H1723)t1112?m0s1
ZINC000004073343
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