Vitas-M small molecule compound

1-{6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]hexanoyl}piperidine-4-carboxylic acid

Catalog ID
STK600077
SMILES O=C(N1CCC(CC1)C(=O)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 C23H29N3O5 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O5/c27-20(24-12-9-16(10-13-24)22(29)30)8-2-1-5-11-25-21(28)19-14-17-6-3-4-7-18(17)15-26(19)23(25)31/h3-4,6-7,16,19H,1-2,5,8-15H2,(H,29,30)/t19-/m0/s1
InChIKey
CAJNJRJLMPUXSD-IBGZPJMESA-N
Synonyms
1173681-86-1
(S)1(6(13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)hexanoyl)piperidine4carboxylicacid
1(6((10aS)13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)hexanoyl)piperidine4carboxylicacid
1(6((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)hexanoyl)piperidine4carboxylicacid
1173681861
C1CN(CCC1C(=O)O)C(=O)CCCCCN2C(=O)C3CC4=CC=CC=C4CN3C2=O
InChI=1SC23H29N3O5c2720(2412916(101324)22(29)30)8215112521(28)191417634718(17)1526(19)23(25)31h34671619H125815H2(H2930)t19m0s1
MFCD07638985
O=C(N1CCC(CC1)C(=O)O)CCCCCN1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
ZINC000005423630
ZINC5423630

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Available files

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