Vitas-M small molecule compound
(3R)-N-((2S,3R)-1-((3-methoxypropyl)amino)-3-methyl-1-oxopentan-2-yl)-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STL530895
SMILES COCCCNC(=O)[C@H](C(CC)C)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1
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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 C23H33N3O4S MW 447.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33N3O4S/c1-6-14(2)17(19(27)24-12-9-13-30-5)25-20(28)18-23(3,4)31-22-16-11-8-7-10-15(16)21(29)26(18)22/h7-8,10-11,14,17-18,22H,6,9,12-13H2,1-5H3,(H,24,27)(H,25,28)/t14?,17-,18+,22?/m0/s1InChIKey
OMMMDYIFLSTSLG-PTRPLXBYSA-NSynonyms
956921-44-1(3~(R))~(N)((2~(S))1(3methoxypropylamino)3methyl1oxopentan2yl)22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S3R)1((3methoxypropyl)amino)3methyl1oxopentan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16405650
956921441
COCCCNC(=O)(C@H)(C(CC)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1
InChI=1SC23H33N3O4Sc1614(2)17(19(27)2412913305)2520(28)1823(34)31221611871015(16)21(29)26(18)22h78101114171822H691213H215H3(H2427)(H2528)t14?1718+22?m0s1
ZINC000008791835
ZINC000012888563
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