Vitas-M small molecule compound
(2S,3R)-2-((S)-2-(2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamido)-3-methylbutanamido)-3-methylpentanoic acid
Catalog ID
STL534895
SMILES CCC([C@@H](C(=O)O)NC(=O)[C@H](C(C)C)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 C21H29N5O4 MW 415.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O4/c1-5-13(4)17(19(28)29)23-18(27)16(12(2)3)24-21(30)26-11-10-25-15-9-7-6-8-14(15)22-20(25)26/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,23,27)(H,24,30)(H,28,29)/t13?,16-,17-/m0/s1InChIKey
CQDIFMNXDMRGBC-LMARGRMVSA-NSynonyms
956947-88-9(2~(S))2(((2~(S))2(12dihydroimidazo(12a)benzimidazole3carbonylamino)3methylbutanoyl)amino)3methylpentanoicacid
(2S3R)2((S)2(23dihydro1Hbenzo(d)imidazo(12a)imidazole1carboxamido)3methylbutanamido)3methylpentanoicacid
16406716
956947889
CCC((C@@H)(C(=O)O)NC(=O)(C@H)(C(C)C)NC(=O)N1CCn2c1nc1c2cccc1)C
InChI=1SC21H29N5O4c1513(4)17(19(28)29)2318(27)16(12(2)3)2421(30)2611102515976814(15)2220(25)26h6912131617H51011H214H3(H2327)(H2430)(H2829)t13?1617m0s1
ZINC000006624040
ZINC000012664444
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