Vitas-M small molecule compound

(3R)-N-[(2S)-1-(cyclohexylamino)-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
STK576743
SMILES CC(C[C@@H](C(=O)NC1CCCCC1)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 C25H35N3O3S MW 457.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35N3O3S/c1-15(2)14-19(21(29)26-16-10-6-5-7-11-16)27-22(30)20-25(3,4)32-24-18-13-9-8-12-17(18)23(31)28(20)24/h8-9,12-13,15-16,19-20,24H,5-7,10-11,14H2,1-4H3,(H,26,29)(H,27,30)/t19-,20+,24?/m0/s1
InChIKey
OIBQJFCGNLXXBZ-ZPVKFHTISA-N
Synonyms
1014044-20-2
(3R)N((2S)1(cyclohexylamino)4methyl1oxopentan2yl)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1(cyclohexylamino)4methyl1oxopentan2yl)22dimethyl5oxo39bdihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1(cyclohexylamino)4methyl1oxopentan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
1014044202
CC(C(C@@H)(C(=O)NC1CCCCC1)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
CC(C)CC(C(=O)NC1CCCCC1)NC(=O)C2C(SC3N2C(=O)C4=CC=CC=C34)(C)C
InChI=1SC25H35N3O3Sc115(2)1419(21(29)2616106571116)2722(30)2025(34)32241813981217(18)23(31)28(20)24h8912131516192024H57101114H214H3(H2629)(H2730)t1920+24?m0s1
ZINC000009058828
ZINC000013576756

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.