Vitas-M small molecule compound
ethyl 4-[(N-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}-L-phenylalanyl)amino]benzoate
Catalog ID
STL546887
SMILES CCOC(=O)c1ccc(cc1)NC(=O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
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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 C30H32N4O5 MW 528.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O5/c1-2-39-29(37)22-11-13-24(14-12-22)31-28(36)25(16-20-7-4-3-5-8-20)32-30(38)33-17-21-15-23(19-33)26-9-6-10-27(35)34(26)18-21/h3-14,21,23,25H,2,15-19H2,1H3,(H,31,36)(H,32,38)/t21-,23+,25-/m0/s1InChIKey
SHCLQYDJEBZSTH-PWWKTKHKSA-NSynonyms
CCOC(=O)c1ccc(cc1)NC(=O)(C@@H)(NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
ethyl4((N(((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonyl)Lphenylalanyl)amino)benzoate
ethyl4((S)2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carboxamido)3phenylpropanamido)benzoate
InChI=1SC30H32N4O5c123929(37)22111324(141222)3128(36)25(16207435820)3230(38)3317211523(1933)26961027(35)34(26)1821h314212325H21519H21H3(H3136)(H3238)t2123+25m0s1
ZINC000002094245
Check stock
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