Vitas-M small molecule compound

4-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-[2-(propan-2-yl)-1H-benzimidazol-5-yl]butanamide

Catalog ID
STL496139
SMILES O=C(Nc1ccc2c(c1)nc([nH]2)C(C)C)CCCN1C(=O)c2ccccc2N2C1c1ccccc1C2=O

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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 C29H27N5O3 MW 493.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O3/c1-17(2)26-31-22-14-13-18(16-23(22)32-26)30-25(35)12-7-15-33-27-19-8-3-4-9-20(19)29(37)34(27)24-11-6-5-10-21(24)28(33)36/h3-6,8-11,13-14,16-17,27H,7,12,15H2,1-2H3,(H,30,35)(H,31,32)
InChIKey
KBVGDVNXJVVIEG-UHFFFAOYSA-N
Synonyms
1630831-17-2
1630831172
4(511dioxo6a11dihydroisoindolo(21a)quinazolin6(5H)yl)N(2(propan2yl)1Hbenzimidazol5yl)butanamide
4(511dioxo6aHisoindolo(21a)quinazolin6yl)N(2propan2yl3Hbenzimidazol5yl)butanamide
4(511dioxoisoindolo(21a)quinazolin6(5H6aH11H)yl)N(2isopropyl1Hbenzo(d)imidazol5yl)butanamide
91637635
InChI=1SC29H27N5O3c117(2)263122141318(1623(22)3226)3025(35)12715332719834920(19)29(37)34(27)2411651021(24)28(33)36h368111314161727H71215H212H3(H3035)(H3132)
MFCD28349493
O=C(Nc1ccc2c(c1)nc((nH)2)C(C)C)CCCN1C(=O)c2ccccc2N2C1c1ccccc1C2=O
ZINC000217777821
ZINC000217777908

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Available files

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