Vitas-M small molecule compound

(3R)-N-[(2S)-1-{[(2S)-1-hydroxypropan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Catalog ID
STL532571
SMILES OC[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)CC(C)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 C22H31N3O4S MW 433.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N3O4S/c1-12(2)10-16(18(27)23-13(3)11-26)24-19(28)17-22(4,5)30-21-15-9-7-6-8-14(15)20(29)25(17)21/h6-9,12-13,16-17,21,26H,10-11H2,1-5H3,(H,23,27)(H,24,28)/t13-,16-,17+,21?/m0/s1
InChIKey
FIMFOCLVGXBDNK-QOSXVOFASA-N
Synonyms
956826-34-9
(3~(R))~(N)((2~(S))1(((2~(S))1hydroxypropan2yl)amino)4methyl1oxopentan2yl)22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1(((2S)1hydroxypropan2yl)amino)4methyl1oxopentan2yl)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1(((S)1hydroxypropan2yl)amino)4methyl1oxopentan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16404530
956826349
InChI=1SC22H31N3O4Sc112(2)1016(18(27)2313(3)1126)2419(28)1722(45)302115976814(15)20(29)25(17)21h69121316172126H1011H215H3(H2327)(H2428)t131617+21?m0s1
MFCD08002368
OC(C@@H)(NC(=O)(C@@H)(NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)CC(C)C)C
ZINC000008790711
ZINC000009044407

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Available files

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