Vitas-M small molecule compound
(3R)-2,2-dimethyl-N-((2S,3R)-3-methyl-1-((4-methylbenzyl)amino)-1-oxopentan-2-yl)-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STL532178
SMILES CCC([C@@H](C(=O)NCc1ccc(cc1)C)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 C27H33N3O3S MW 479.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O3S/c1-6-17(3)21(23(31)28-15-18-13-11-16(2)12-14-18)29-24(32)22-27(4,5)34-26-20-10-8-7-9-19(20)25(33)30(22)26/h7-14,17,21-22,26H,6,15H2,1-5H3,(H,28,31)(H,29,32)/t17?,21-,22+,26?/m0/s1InChIKey
NCPMCRIFFOPTDA-TUOMMBIPSA-NSynonyms
956970-25-5(3~(R))22dimethyl~(N)((2~(S))3methyl1((4methylphenyl)methylamino)1oxopentan2yl)5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S3R)3methyl1((4methylbenzyl)amino)1oxopentan2yl)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16406168
956970255
CCC((C@@H)(C(=O)NCc1ccc(cc1)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC27H33N3O3Sc1617(3)21(23(31)281518131116(2)121418)2924(32)2227(45)3426201087919(20)25(33)30(22)26h71417212226H615H215H3(H2831)(H2932)t17?2122+26?m0s1
ZINC000008876363
ZINC000012889191
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