Vitas-M small molecule compound

N-{6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]hexanoyl}-S-methyl-L-cysteine

Catalog ID
STL533051
SMILES CSC[C@@H](C(=O)O)NC(=O)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)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 C21H27N3O5S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5S/c1-30-13-16(20(27)28)22-18(25)9-3-2-6-10-23-19(26)17-11-14-7-4-5-8-15(14)12-24(17)21(23)29/h4-5,7-8,16-17H,2-3,6,9-13H2,1H3,(H,22,25)(H,27,28)/t16-,17-/m0/s1
InChIKey
SMJDGBAVGNJKCB-IRXDYDNUSA-N
Synonyms
956998-38-2
(2~(R))2(6((10~(a)~(S))13dioxo1010~(a)dihydro5~(H)imidazo(15b)isoquinolin2yl)hexanoylamino)3methylsulfanylpropanoicacid
(R)2(6((S)13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)hexanamido)3(methylthio)propanoicacid
16406471
956998382
CSC(C@@H)(C(=O)O)NC(=O)CCCCCN1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
InChI=1SC21H27N3O5Sc1301316(20(27)28)2218(25)9326102319(26)171114745815(14)1224(17)21(23)29h45781617H236913H21H3(H2225)(H2728)t1617m0s1
N(6((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)hexanoyl)SmethylLcysteine
ZINC000008876682
ZINC8876682

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Available files

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