Vitas-M small molecule compound
(3R)-2,2-dimethyl-N-{(2S)-4-methyl-1-oxo-1-[(2-phenylethyl)amino]pentan-2-yl}-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STL532796
SMILES CC(C[C@@H](C(=O)NCCc1ccccc1)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)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 C27H33N3O3S MW 479.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O3S/c1-17(2)16-21(23(31)28-15-14-18-10-6-5-7-11-18)29-24(32)22-27(3,4)34-26-20-13-9-8-12-19(20)25(33)30(22)26/h5-13,17,21-22,26H,14-16H2,1-4H3,(H,28,31)(H,29,32)/t21-,22+,26?/m0/s1InChIKey
KLXCOMIUTFPYPO-SMWUWQHRSA-NSynonyms
956980-86-2(3~(R))22dimethyl~(N)((2~(S))4methyl1oxo1(2phenylethylamino)pentan2yl)5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S)4methyl1oxo1((2phenylethyl)amino)pentan2yl)5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((S)4methyl1oxo1(phenethylamino)pentan2yl)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16405788
956980862
CC(C(C@@H)(C(=O)NCCc1ccccc1)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC27H33N3O3Sc117(2)1621(23(31)28151418106571118)2924(32)2227(34)34262013981219(20)25(33)30(22)26h51317212226H1416H214H3(H2831)(H2932)t2122+26?m0s1
ZINC000008876220
ZINC000012888701
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