Vitas-M small molecule compound
ethyl 4-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)benzoate
Catalog ID
STL553076
SMILES CCOC(=O)c1ccc(cc1)NC(=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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-2-27-20(26)15-6-8-17(9-7-15)22-21(28)23-11-14-10-16(13-23)18-4-3-5-19(25)24(18)12-14/h3-9,14,16H,2,10-13H2,1H3,(H,22,28)/t14-,16?/m0/s1InChIKey
ROKQITKABXDWKN-LBAUFKAWSA-NSynonyms
135640871
CCOC(=O)c1ccc(cc1)NC(=S)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
ethyl4((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)benzoate
ethyl4(((9~(R))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)amino)benzoate
ethyl4((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)benzoate
InChI=1SC21H23N3O3Sc122720(26)156817(9715)2221(28)2311141016(1323)1843519(25)24(18)1214h391416H21013H21H3(H2228)t1416?m0s1
ZINC000003045625
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