Vitas-M small molecule compound

2-[(11aS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-[3-(morpholin-4-yl)propyl]benzamide

Catalog ID
STL530929
SMILES Cc1ccc(cc1)C1N2[C@@H](Cc3c1[nH]c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NCCCN1CCOCC1

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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 C34H35N5O4 MW 577.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35N5O4/c1-22-11-13-23(14-12-22)31-30-26(24-7-2-4-9-27(24)36-30)21-29-33(41)39(34(42)38(29)31)28-10-5-3-8-25(28)32(40)35-15-6-16-37-17-19-43-20-18-37/h2-5,7-14,29,31,36H,6,15-21H2,1H3,(H,35,40)/t29-,31?/m0/s1
InChIKey
AEEUCCIYTLQIKG-QHSFNAQHSA-N
Synonyms
956980-88-4
16405795
2((11aS)13dioxo5(ptolyl)1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(3morpholinopropyl)benzamide
2((11aS)5(4methylphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(3(morpholin4yl)propyl)benzamide
2((15~(S))10(4methylphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(3morpholin4ylpropyl)benzamide
956980884
Cc1ccc(cc1)C1N2(C@@H)(Cc3c1(nH)c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NCCCN1CCOCC1
InChI=1SC34H35N5O4c122111323(141222)313026(24724927(24)3630)212933(41)39(34(42)38(29)31)281053825(28)32(40)351561637171943201837h25714293136H61521H21H3(H3540)t2931?m0s1
ZINC000038140047
ZINC000038140048

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.