Vitas-M small molecule compound
(3R)-2,2-dimethyl-N-{(2S)-3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STK595133
SMILES CC([C@@H](C(=O)NCC1CCCO1)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 C23H31N3O4S MW 445.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O4S/c1-13(2)17(19(27)24-12-14-8-7-11-30-14)25-20(28)18-23(3,4)31-22-16-10-6-5-9-15(16)21(29)26(18)22/h5-6,9-10,13-14,17-18,22H,7-8,11-12H2,1-4H3,(H,24,27)(H,25,28)/t14?,17-,18+,22?/m0/s1InChIKey
OMSAQJHVOXKYFF-PTRPLXBYSA-NSynonyms
1014001-40-1(3R)22dimethylN((2S)3methyl1oxo1(((tetrahydrofuran2yl)methyl)amino)butan2yl)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S)3methyl1oxo1((tetrahydrofuran2ylmethyl)amino)butan2yl)5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S)3methyl1oxo1(oxolan2ylmethylamino)butan2yl)5oxo39bdihydro(13)thiazolo(23a)isoindole3carboxamide
1014001401
CC(C)C(C(=O)NCC1CCCO1)NC(=O)C2C(SC3N2C(=O)C4=CC=CC=C34)(C)C
InChI=1SC23H31N3O4Sc113(2)17(19(27)24121487113014)2520(28)1823(34)3122161065915(16)21(29)26(18)22h569101314171822H781112H214H3(H2427)(H2528)t14?1718+22?m0s1
ZINC000009450511
ZINC000013555222
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