Vitas-M small molecule compound
(1S,5S)-N-{(2S)-1-[(4-butoxyphenyl)amino]-3-methyl-1-oxobutan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL537726
SMILES CCCCOc1ccc(cc1)NC(=O)[C@H](C(C)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 C27H36N4O4 MW 480.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N4O4/c1-4-5-13-35-22-11-9-21(10-12-22)28-26(33)25(18(2)3)29-27(34)30-15-19-14-20(17-30)23-7-6-8-24(32)31(23)16-19/h6-12,18-20,25H,4-5,13-17H2,1-3H3,(H,28,33)(H,29,34)/t19-,20+,25-/m0/s1InChIKey
JYFQUNOZYMFKRD-DFIYOIEZSA-NSynonyms
(1R5R)N((S)1((4butoxyphenyl)amino)3methyl1oxobutan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((4butoxyphenyl)amino)3methyl1oxobutan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CCCCOc1ccc(cc1)NC(=O)(C@H)(C(C)C)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC27H36N4O4c14513352211921(101222)2826(33)25(18(2)3)2927(34)3015191420(1730)2376824(32)31(23)1619h612182025H451317H213H3(H2833)(H2934)t1920+25m0s1
ZINC000002093529
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