Vitas-M small molecule compound
ethyl 5-methoxy-3-({2-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propanoyl}amino)-1H-indole-2-carboxylate
Catalog ID
STL526235
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C)cc(cc2)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 C26H30N4O5 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O5/c1-4-35-26(33)24-23(19-11-18(34-3)8-9-20(19)27-24)28-25(32)15(2)29-12-16-10-17(14-29)21-6-5-7-22(31)30(21)13-16/h5-9,11,15-17,27H,4,10,12-14H2,1-3H3,(H,28,32)/t15?,16-,17-/m0/s1InChIKey
PSMKLWAWNWTCCN-BSOSBYQFSA-NSynonyms
CCOC(=O)c1(nH)c2c(c1NC(=O)C(N1C(C@@H)3C(C@H)(C1)c1n(C3)c(=O)ccc1)C)cc(cc2)OC
ethyl5methoxy3((2((1S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propanoyl)amino)1Hindole2carboxylate
ethyl5methoxy3(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)propanamido)1Hindole2carboxylate
InChI=1SC26H30N4O5c143526(33)2423(191118(343)8920(19)2724)2825(32)15(2)2912161017(1429)2165722(31)30(21)1316h5911151727H4101214H213H3(H2832)t15?1617m0s1
MFCD02925838
ZINC000104003894
ZINC000104003898
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