Vitas-M small molecule compound

2,2-Dimethyl-5-oxo-2,3,5,9b-tetrahydro-thiazolo[2,3-a]isoindole-3-carboxylic acid [1-(1-hydroxymet

Catalog ID
STK607249
SMILES OC[C@H](C(C)C)NC(=O)[C@H](C(CC)C)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1

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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 C24H35N3O4S MW 461.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H35N3O4S/c1-7-14(4)18(20(29)25-17(12-28)13(2)3)26-21(30)19-24(5,6)32-23-16-11-9-8-10-15(16)22(31)27(19)23/h8-11,13-14,17-19,23,28H,7,12H2,1-6H3,(H,25,29)(H,26,30)/t14?,17-,18+,19-,23?/m1/s1
InChIKey
JCRXZYXHLMRZCR-OPTLPSLISA-N
Synonyms
1014063-70-7
(3R)N((2S)1(((2S)1hydroxy3methylbutan2yl)amino)3methyl1oxopentan2yl)22dimethyl5oxo39bdihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S3S)1(((S)1hydroxy3methylbutan2yl)amino)3methyl1oxopentan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
1014063707
CCC(C)C(C(=O)NC(CO)C(C)C)NC(=O)C1C(SC2N1C(=O)C3=CC=CC=C23)(C)C
InChI=1SC24H35N3O4Sc1714(4)18(20(29)2517(1228)13(2)3)2621(30)1924(56)32231611981015(16)22(31)27(19)23h811131417192328H712H216H3(H2529)(H2630)t14?1718+1923?m1s1
MFCD08285965
OC(C@H)(C(C)C)NC(=O)(C@H)(C(CC)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1
ZINC000013592905
ZINC000013592912

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Available files

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