Vitas-M small molecule compound
(1S,5S)-N-{(2S)-1-[(3-butoxypropyl)amino]-1-oxopropan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL563044
SMILES CCCCOCCCNC(=O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)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 C22H34N4O4 MW 418.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34N4O4/c1-3-4-10-30-11-6-9-23-21(28)16(2)24-22(29)25-13-17-12-18(15-25)19-7-5-8-20(27)26(19)14-17/h5,7-8,16-18H,3-4,6,9-15H2,1-2H3,(H,23,28)(H,24,29)/t16-,17-,18+/m0/s1InChIKey
OGJQKIUINAMWMO-OKZBNKHCSA-NSynonyms
(1R5R)N((S)1((3butoxypropyl)amino)1oxopropan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1R9R)N((2S)1(3butoxypropylamino)1oxopropan2yl)6oxo711diazatricyclo(731027)trideca24diene11carboxamide
(1S5S)N((2S)1((3butoxypropyl)amino)1oxopropan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
51029239
CCCCOCCCNC(=O)(C@@H)(NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C
InChI=1SC22H34N4O4c134103011692321(28)16(2)2422(29)2513171218(1525)1975820(27)26(19)1417h5781618H346915H212H3(H2328)(H2429)t161718+m0s1
MFCD03853387
ZINC000002094848
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