Vitas-M small molecule compound
tert-butyl {(2S)-3-(1-methyl-1H-indol-3-yl)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propan-2-yl}carbamate
Catalog ID
STL547862
SMILES O=C(OC(C)(C)C)N[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cn(c2c1cccc2)C
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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 C28H34N4O4 MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O4/c1-28(2,3)36-27(35)29-22(13-19-16-30(4)24-9-6-5-8-21(19)24)26(34)31-14-18-12-20(17-31)23-10-7-11-25(33)32(23)15-18/h5-11,16,18,20,22H,12-15,17H2,1-4H3,(H,29,35)/t18-,20+,22-/m0/s1InChIKey
ZVRLAQDESWMCED-DWLFOUALSA-NSynonyms
InChI=1SC28H34N4O4c128(23)3627(35)2922(13191630(4)24965821(19)24)26(34)3114181220(1731)231071125(33)32(23)1518h51116182022H121517H214H3(H2935)t1820+22m0s1
O=C(OC(C)(C)C)N(C@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1cn(c2c1cccc2)C
tertbutyl((2S)3(1methyl1Hindol3yl)1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propan2yl)carbamate
tertbutyl((S)3(1methyl1Hindol3yl)1oxo1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)propan2yl)carbamate
ZINC000263586934
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