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-[2-(morpholin-4-yl)ethyl]benzamide

Catalog ID
STL533409
SMILES Cc1ccc(cc1)C1N2[C@@H](Cc3c1[nH]c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NCCN1CCOCC1

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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 C33H33N5O4 MW 563.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N5O4/c1-21-10-12-22(13-11-21)30-29-25(23-6-2-4-8-26(23)35-29)20-28-32(40)38(33(41)37(28)30)27-9-5-3-7-24(27)31(39)34-14-15-36-16-18-42-19-17-36/h2-13,28,30,35H,14-20H2,1H3,(H,34,39)/t28-,30?/m0/s1
InChIKey
SQVRJYDIVLDZDD-MBCWZBCWSA-N
Synonyms
956980-70-4
16405742
2((11aS)13dioxo5(ptolyl)1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(2morpholinoethyl)benzamide
2((11aS)5(4methylphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(2(morpholin4yl)ethyl)benzamide
2((15~(S))10(4methylphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(2morpholin4ylethyl)benzamide
956980704
Cc1ccc(cc1)C1N2(C@@H)(Cc3c1(nH)c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NCCN1CCOCC1
InChI=1SC33H33N5O4c121101222(131121)302925(23624826(23)3529)202832(40)38(33(41)37(28)30)27953724(27)31(39)34141536161842191736h213283035H1420H21H3(H3439)t2830?m0s1
ZINC000038140045
ZINC000038140046

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Available files

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