Vitas-M small molecule compound

(3R)-2,2-dimethyl-N-{(2S)-3-methyl-1-oxo-1-[(2-phenylethyl)amino]butan-2-yl}-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Catalog ID
STL533507
SMILES CC([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 C26H31N3O3S MW 465.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O3S/c1-16(2)20(22(30)27-15-14-17-10-6-5-7-11-17)28-23(31)21-26(3,4)33-25-19-13-9-8-12-18(19)24(32)29(21)25/h5-13,16,20-21,25H,14-15H2,1-4H3,(H,27,30)(H,28,31)/t20-,21+,25?/m0/s1
InChIKey
ZTNVVHDCHXRRHN-SXNCYPNXSA-N
Synonyms
956147-82-3
(3~(R))22dimethyl~(N)((2~(S))3methyl1oxo1(2phenylethylamino)butan2yl)5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S)3methyl1oxo1((2phenylethyl)amino)butan2yl)5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((S)3methyl1oxo1(phenethylamino)butan2yl)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16405787
956147823
CC((C@@H)(C(=O)NCCc1ccccc1)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC26H31N3O3Sc116(2)20(22(30)27151417106571117)2823(31)2126(34)33251913981218(19)24(32)29(21)25h51316202125H1415H214H3(H2730)(H2831)t2021+25?m0s1
ZINC000012888689
ZINC000012888694

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Available files

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