Vitas-M small molecule compound
(3R)-2,2-dimethyl-N-{(2S)-3-methyl-1-oxo-1-[(4-phenylbutan-2-yl)amino]butan-2-yl}-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STL531491
SMILES CC(NC(=O)[C@H](C(C)C)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)CCc1ccccc1
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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 C28H35N3O3S MW 493.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O3S/c1-17(2)22(24(32)29-18(3)15-16-19-11-7-6-8-12-19)30-25(33)23-28(4,5)35-27-21-14-10-9-13-20(21)26(34)31(23)27/h6-14,17-18,22-23,27H,15-16H2,1-5H3,(H,29,32)(H,30,33)/t18?,22-,23+,27?/m0/s1InChIKey
WYENAOCVRLHAJH-CNXOFUGBSA-NSynonyms
956823-83-9(3~(R))22dimethyl~(N)((2~(S))3methyl1oxo1(4phenylbutan2ylamino)butan2yl)5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S)3methyl1oxo1((4phenylbutan2yl)amino)butan2yl)5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)22dimethylN((2S)3methyl1oxo1((4phenylbutan2yl)amino)butan2yl)5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16405670
956823839
CC(NC(=O)(C@H)(C(C)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)CCc1ccccc1
InChI=1SC28H35N3O3Sc117(2)22(24(32)2918(3)151619117681219)3025(33)2328(45)352721141091320(21)26(34)31(23)27h6141718222327H1516H215H3(H2932)(H3033)t18?2223+27?m0s1
ZINC000008876176
ZINC000009058869
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