Vitas-M small molecule compound

(1S,5S)-N-[(2S)-1-(butylamino)-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
STL548791
SMILES CCCCNC(=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 C21H32N4O3 MW 388.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32N4O3/c1-4-5-9-22-20(27)19(14(2)3)23-21(28)24-11-15-10-16(13-24)17-7-6-8-18(26)25(17)12-15/h6-8,14-16,19H,4-5,9-13H2,1-3H3,(H,22,27)(H,23,28)/t15-,16+,19-/m0/s1
InChIKey
LEESWROABYLKQH-FCEWJHQRSA-N
Synonyms

(1R5R)N((S)1(butylamino)3methyl1oxobutan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1(butylamino)3methyl1oxobutan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CCCCNC(=O)(C@H)(C(C)C)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC21H32N4O3c14592220(27)19(14(2)3)2321(28)2411151016(1324)1776818(26)25(17)1215h68141619H45913H213H3(H2227)(H2328)t1516+19m0s1
ZINC000002149063

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Available files

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