Vitas-M small molecule compound
(1R,5R)-N-((2S,3R)-1-((4-butylphenyl)amino)-3-methyl-1-oxopentan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide
Catalog ID
STL533636
SMILES CCCCc1ccc(cc1)NC(=O)[C@H](C(CC)C)NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C28H38N4O3 MW 478.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N4O3/c1-4-6-8-20-11-13-23(14-12-20)29-27(34)26(19(3)5-2)30-28(35)31-16-21-15-22(18-31)24-9-7-10-25(33)32(24)17-21/h7,9-14,19,21-22,26H,4-6,8,15-18H2,1-3H3,(H,29,34)(H,30,35)/t19?,21-,22+,26-/m0/s1InChIKey
DDUCALYSAOIHKI-DAAAGMPHSA-NSynonyms
(1R5R)N((2S3R)1((4butylphenyl)amino)3methyl1oxopentan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
CCCCc1ccc(cc1)NC(=O)(C@H)(C(CC)C)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC28H38N4O3c146820111323(141220)2927(34)26(19(3)52)3028(35)3116211522(1831)24971025(33)32(24)1721h791419212226H4681518H213H3(H2934)(H3035)t19?2122+26m0s1
ZINC000002133090
ZINC000012878765
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