Vitas-M small molecule compound

(2S,3R)-2-((2S,3S)-2-(2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamido)-3-methylpentanamido)-3-methylpentanoic acid

Catalog ID
STL534152
SMILES CCC([C@@H](C(=O)N[C@@H](C(CC)C)C(=O)O)NC(=O)N1CCn2c1nc1c2cccc1)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 C22H31N5O4 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O4/c1-5-13(3)17(19(28)24-18(20(29)30)14(4)6-2)25-22(31)27-12-11-26-16-10-8-7-9-15(16)23-21(26)27/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3,(H,24,28)(H,25,31)(H,29,30)/t13?,14?,17-,18-/m0/s1
InChIKey
ZRDZGZVFKZGFQP-GNNGFNCTSA-N
Synonyms
956933-53-2
(2~(S))2(((2~(S))2(12dihydroimidazo(12a)benzimidazole3carbonylamino)3methylpentanoyl)amino)3methylpentanoicacid
(2S3R)2((2S3S)2(23dihydro1Hbenzo(d)imidazo(12a)imidazole1carboxamido)3methylpentanamido)3methylpentanoicacid
16406667
956933532
CCC((C@@H)(C(=O)N(C@@H)(C(CC)C)C(=O)O)NC(=O)N1CCn2c1nc1c2cccc1)C
InChI=1SC22H31N5O4c1513(3)17(19(28)2418(20(29)30)14(4)62)2522(31)27121126161087915(16)2321(26)27h71013141718H561112H214H3(H2428)(H2531)(H2930)t13?14?1718m0s1
ZINC000008792066
ZINC000012664440

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Available files

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