Vitas-M small molecule compound

(3R)-N-[(2S)-1-{[2-(4-methoxyphenyl)ethyl]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
STL531320
SMILES COc1ccc(cc1)CCNC(=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 C27H33N3O4S MW 495.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O4S/c1-16(2)21(23(31)28-15-14-17-10-12-18(34-5)13-11-17)29-24(32)22-27(3,4)35-26-20-9-7-6-8-19(20)25(33)30(22)26/h6-13,16,21-22,26H,14-15H2,1-5H3,(H,28,31)(H,29,32)/t21-,22+,26?/m0/s1
InChIKey
SFNPACKODBHTFD-SMWUWQHRSA-N
Synonyms
956918-61-9
(3~(R))~(N)((2~(S))1(2(4methoxyphenyl)ethylamino)3methyl1oxobutan2yl)22dimethyl5oxo39~(b)dihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1((2(4methoxyphenyl)ethyl)amino)3methyl1oxobutan2yl)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1((4methoxyphenethyl)amino)3methyl1oxobutan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16405946
956918619
COc1ccc(cc1)CCNC(=O)(C@H)(C(C)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1
InChI=1SC27H33N3O4Sc116(2)21(23(31)28151417101218(345)131117)2924(32)2227(34)352620976819(20)25(33)30(22)26h61316212226H1415H215H3(H2831)(H2932)t2122+26?m0s1
ZINC000008876261
ZINC000012888928

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Available files

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