Vitas-M small molecule compound
(3R)-N-{(2S)-1-[(3-methoxybenzyl)amino]-3-methyl-1-oxobutan-2-yl}-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STL529756
SMILES COc1cccc(c1)CNC(=O)[C@H](C(C)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 C26H31N3O4S MW 481.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O4S/c1-15(2)20(22(30)27-14-16-9-8-10-17(13-16)33-5)28-23(31)21-26(3,4)34-25-19-12-7-6-11-18(19)24(32)29(21)25/h6-13,15,20-21,25H,14H2,1-5H3,(H,27,30)(H,28,31)/t20-,21+,25?/m0/s1InChIKey
MBICJPTVTGATQB-SXNCYPNXSA-NSynonyms
957004-64-7(3~(R))~(N)((2~(S))1((3methoxyphenyl)methylamino)3methyl1oxobutan2yl)22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1((3methoxybenzyl)amino)3methyl1oxobutan2yl)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1((3methoxybenzyl)amino)3methyl1oxobutan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16406330
957004647
COc1cccc(c1)CNC(=O)(C@H)(C(C)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1
InChI=1SC26H31N3O4Sc115(2)20(22(30)271416981017(1316)335)2823(31)2126(34)34251912761118(19)24(32)29(21)25h61315202125H14H215H3(H2730)(H2831)t2021+25?m0s1
ZINC000008876433
ZINC000012889420
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