Vitas-M small molecule compound

N-({3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]phenyl}carbonyl)-D-valine

Catalog ID
STK571334
SMILES O=C(c1cccc(c1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)N[C@@H](C(=O)O)C(C)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 C23H23N3O5 MW 421.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5/c1-13(2)19(22(29)30)24-20(27)15-8-5-9-17(10-15)26-21(28)18-11-14-6-3-4-7-16(14)12-25(18)23(26)31/h3-10,13,18-19H,11-12H2,1-2H3,(H,24,27)(H,29,30)/t18-,19+/m0/s1
InChIKey
FDWHJQPUYLRTSP-RBUKOAKNSA-N
Synonyms
1014042-62-6
(2R)2((3((10aS)13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)benzoyl)amino)3methylbutanoicacid
(S)2(3((S)13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)benzamido)3methylbutanoicacid
1014042626
CC(C)C(C(=O)O)NC(=O)C1=CC(=CC=C1)N2C(=O)C3CC4=CC=CC=C4CN3C2=O
InChI=1SC23H23N3O5c113(2)19(22(29)30)2420(27)1585917(1015)2621(28)181114634716(14)1225(18)23(26)31h310131819H1112H212H3(H2427)(H2930)t1819+m0s1
MFCD07638312
N((3((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)phenyl)carbonyl)Dvaline
O=C(c1cccc(c1)N1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1)N(C@@H)(C(=O)O)C(C)C
O=C(c1cccc(c1)N1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1)N(C@H)(C(=O)O)C(C)C
ZINC000013576602
ZINC13576602

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Available files

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