Vitas-M small molecule compound

(1S)-N-[(2S)-1-{[2-(3,4-dimethoxyphenyl)ethyl]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
STL544541
SMILES COc1ccc(cc1OC)CCNC(=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 C27H36N4O5 MW 496.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N4O5/c1-17(2)25(26(33)28-11-10-18-8-9-22(35-3)23(13-18)36-4)29-27(34)30-14-19-12-20(16-30)21-6-5-7-24(32)31(21)15-19/h5-9,13,17,19-20,25H,10-12,14-16H2,1-4H3,(H,28,33)(H,29,34)/t19-,20+,25-/m0/s1
InChIKey
PZWHJLALOYVZLL-DFIYOIEZSA-N
Synonyms

(1R5R)N((S)1((34dimethoxyphenethyl)amino)3methyl1oxobutan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S)N((2S)1((2(34dimethoxyphenyl)ethyl)amino)3methyl1oxobutan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
COc1ccc(cc1OC)CCNC(=O)(C@H)(C(C)C)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC27H36N4O5c117(2)25(26(33)281110188922(353)23(1318)364)2927(34)3014191220(1630)2165724(32)31(21)1519h591317192025H10121416H214H3(H2833)(H2934)t1920+25m0s1
ZINC000225415238

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Available files

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