Vitas-M small molecule compound
methyl 5,6-dimethoxy-3-({[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate
Catalog ID
STL526455
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cc(c(c2)OC)OC
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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 C25H28N4O6 MW 480.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O6/c1-33-19-8-16-17(9-20(19)34-2)26-24(25(32)35-3)23(16)27-21(30)13-28-10-14-7-15(12-28)18-5-4-6-22(31)29(18)11-14/h4-6,8-9,14-15,26H,7,10-13H2,1-3H3,(H,27,30)/t14-,15-/m0/s1InChIKey
BHXXJNAYAGRHOP-GJZGRUSLSA-NSynonyms
COC(=O)c1(nH)c2c(c1NC(=O)CN1C(C@@H)3C(C@H)(C1)c1n(C3)c(=O)ccc1)cc(c(c2)OC)OC
InChI=1SC25H28N4O6c1331981617(920(19)342)2624(25(32)353)23(16)2721(30)13281014715(1228)1854622(31)29(18)1114h4689141526H71013H213H3(H2730)t1415m0s1
methyl56dimethoxy3((((1S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)acetyl)amino)1Hindole2carboxylate
methyl56dimethoxy3(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)acetamido)1Hindole2carboxylate
MFCD02925341
ZINC000104709046
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