Vitas-M small molecule compound
(2S,3R)-2-((2S)-2-((3R)-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamido)propanamido)-3-methylpentanoic acid
Catalog ID
STL531809
SMILES CCC([C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C)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 C22H29N3O5S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O5S/c1-6-11(2)15(21(29)30)24-17(26)12(3)23-18(27)16-22(4,5)31-20-14-10-8-7-9-13(14)19(28)25(16)20/h7-12,15-16,20H,6H2,1-5H3,(H,23,27)(H,24,26)(H,29,30)/t11?,12-,15-,16+,20?/m0/s1InChIKey
RFUPAELEDGOCAH-XRKMGVPUSA-NSynonyms
956999-06-7(2~(S))2(((2~(S))2(((3~(R))22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carbonyl)amino)propanoyl)amino)3methylpentanoicacid
(2S3R)2((2S)2((3R)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamido)propanamido)3methylpentanoicacid
16403877
956999067
CCC((C@@H)(C(=O)O)NC(=O)(C@@H)(NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C)C
InChI=1SC22H29N3O5Sc1611(2)15(21(29)30)2417(26)12(3)2318(27)1622(45)3120141087913(14)19(28)25(16)20h712151620H6H215H3(H2327)(H2426)(H2930)t11?121516+20?m0s1
ZINC000008790155
ZINC000012881959
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