Vitas-M small molecule compound

2-(3-benzyl-5,8-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrimido[5,4-b]indol-1-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

Catalog ID
STL135132
SMILES O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1c1cc(C)ccc1n2C)NCCC1=CCCCC1

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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 C29H32N4O3 MW 484.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O3/c1-20-13-14-24-23(17-20)26-27(31(24)2)28(35)33(18-22-11-7-4-8-12-22)29(36)32(26)19-25(34)30-16-15-21-9-5-3-6-10-21/h4,7-9,11-14,17H,3,5-6,10,15-16,18-19H2,1-2H3,(H,30,34)
InChIKey
HYPOSEWPHSIFJL-UHFFFAOYSA-N
Synonyms

2(3benzyl58dimethyl24dioxo2345tetrahydro1Hpyrimido(54b)indol1yl)N(2(cyclohex1en1yl)ethyl)acetamide
2(3benzyl58dimethyl24dioxopyrimido(54b)indol1yl)N(2(cyclohexen1yl)ethyl)acetamide
CC1=CC2=C(C=C1)N(C3=C2N(C(=O)N(C3=O)CC4=CC=CC=C4)CC(=O)NCCC5=CCCCC5)C
InChI=1SC29H32N4O3c12013142423(1720)2627(31(24)2)28(35)33(1822117481222)29(36)32(26)1925(34)3016152195361021h479111417H3561015161819H212H3(H3034)
MFCD14914101
ZINC000009153661
ZINC9153661

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Available files

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