Vitas-M small molecule compound
ethyl 2-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL533133
SMILES CCOC(=O)c1c(NC(=S)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)sc2c1CCCC2
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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 C23H27N3O3S2 MW 457.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O3S2/c1-2-29-22(28)20-16-6-3-4-8-18(16)31-21(20)24-23(30)25-11-14-10-15(13-25)17-7-5-9-19(27)26(17)12-14/h5,7,9,14-15H,2-4,6,8,10-13H2,1H3,(H,24,30)/t14-,15+/m0/s1InChIKey
OPECUGOITRWSNU-LSDHHAIUSA-NSynonyms
CCOC(=O)c1c(NC(=S)N2C(C@@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)sc2c1CCCC2
ethyl2((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC23H27N3O3S2c122922(28)2016634818(16)3121(20)2423(30)2511141015(1325)1775919(27)26(17)1214h5791415H24681013H21H3(H2430)t1415+m0s1
MFCD04142705
ZINC000002153481
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