Vitas-M small molecule compound
[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]{5-[(phenylcarbonyl)amino]-1H-indol-3-yl}acetic acid
Catalog ID
STL535748
SMILES O=C(c1ccccc1)Nc1ccc2c(c1)c(c[nH]2)C(N1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1)C(=O)O
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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 C28H26N4O4 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4/c33-25-8-4-7-24-19-11-17(15-32(24)25)14-31(16-19)26(28(35)36)22-13-29-23-10-9-20(12-21(22)23)30-27(34)18-5-2-1-3-6-18/h1-10,12-13,17,19,26,29H,11,14-16H2,(H,30,34)(H,35,36)/t17-,19+,26?/m1/s1InChIKey
GRHGSMGHAGADNA-CYORASJTSA-NSynonyms
((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)(5((phenylcarbonyl)amino)1Hindol3yl)aceticacid
2(5benzamido1Hindol3yl)2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)aceticacid
InChI=1SC28H26N4O4c332584724191117(1532(24)25)1431(1619)26(28(35)36)2213292310920(1221(22)23)3027(34)185213618h110121317192629H111416H2(H3034)(H3536)t1719+26?m1s1
MFCD12030349
O=C(c1ccccc1)Nc1ccc2c(c1)c(c(nH)2)C(N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C(=O)O
ZINC000100792224
ZINC000100792226
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