Vitas-M small molecule compound
ethyl ({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}sulfanyl)acetate
Catalog ID
STL526593
SMILES CCOC(=O)CSC(=S)N1C[C@H]2C[C@@H](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 C16H20N2O3S2 MW 352.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O3S2/c1-2-21-15(20)10-23-16(22)17-7-11-6-12(9-17)13-4-3-5-14(19)18(13)8-11/h3-5,11-12H,2,6-10H2,1H3/t11-,12+/m0/s1InChIKey
KAAITSSFSMTRPC-NWDGAFQWSA-NSynonyms
450368-99-7450368997
7079099
CCOC(=O)CSC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
ethyl((((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)sulfanyl)acetate
ethyl2(((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)thio)acetate
ethyl2((1~(R)9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)sulfanylacetate
InChI=1SC16H20N2O3S2c122115(20)102316(22)17711612(917)1343514(19)18(13)811h351112H2610H21H3t1112+m0s1
MFCD03005908
ZINC000004029348
ZINC4029348
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