Vitas-M small molecule compound

(2S)-({3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanoyl}amino)(phenyl)ethanoic acid

Catalog ID
STK587001
SMILES O=C(N[C@@H](c1ccccc1)C(=O)O)CCN1C(=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 C22H21N3O5 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5/c26-18(23-19(21(28)29)14-6-2-1-3-7-14)10-11-24-20(27)17-12-15-8-4-5-9-16(15)13-25(17)22(24)30/h1-9,17,19H,10-13H2,(H,23,26)(H,28,29)/t17-,19-/m0/s1
InChIKey
XTJNPXYDTGJZSA-HKUYNNGSSA-N
Synonyms
1173684-51-9
(2S)((3((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)propanoyl)amino)(phenyl)ethanoicacid
(2S)2(3((10aS)13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)propanoylamino)2phenylaceticacid
(R)2(3((S)13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)propanamido)2phenylaceticacid
1173684519
C1C2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCC(=O)NC(C4=CC=CC=C4)C(=O)O
InChI=1SC22H21N3O5c2618(2319(21(28)29)146213714)10112420(27)171215845916(15)1325(17)22(24)30h191719H1013H2(H2326)(H2829)t1719m0s1
MFCD07640320
O=C(N(C@@H)(c1ccccc1)C(=O)O)CCN1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
O=C(N(C@H)(c1ccccc1)C(=O)O)CCN1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
ZINC000005450878
ZINC5450878

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Available files

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