Vitas-M small molecule compound

(3R)-N-((2S,3R)-1-(((S)-1-hydroxypropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamide

Catalog ID
STL533822
SMILES OC[C@@H](NC(=O)[C@H](C(CC)C)NC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1)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 C20H27N3O4S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O4S/c1-4-11(2)16(18(26)21-12(3)9-24)22-17(25)15-10-28-20-14-8-6-5-7-13(14)19(27)23(15)20/h5-8,11-12,15-16,20,24H,4,9-10H2,1-3H3,(H,21,26)(H,22,25)/t11?,12-,15-,16-,20?/m0/s1
InChIKey
XFWPWDQQYBXQBB-BXEIYEJDSA-N
Synonyms
956936-55-3
(3~(R))~(N)((2~(S))1(((2~(S))1hydroxypropan2yl)amino)3methyl1oxopentan2yl)5oxo39~(b)dihydro2~(H)(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S3R)1(((S)1hydroxypropan2yl)amino)3methyl1oxopentan2yl)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16403902
956936553
InChI=1SC20H27N3O4Sc1411(2)16(18(26)2112(3)924)2217(25)1510282014865713(14)19(27)23(15)20h58111215162024H4910H213H3(H2126)(H2225)t11?12151620?m0s1
MFCD06765585
OC(C@@H)(NC(=O)(C@H)(C(CC)C)NC(=O)(C@@H)1CSC2N1C(=O)c1c2cccc1)C
ZINC000006623696
ZINC000012882047

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Available files

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