Vitas-M small molecule compound

4-[(11aS)-5-(3-methoxyphenyl)-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
STL531328
SMILES COc1cccc(c1)C1N2C(=O)N(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)c1ccc(cc1)C(=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 C33H33N5O5 MW 579.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N5O5/c1-42-24-6-4-5-22(19-24)30-29-26(25-7-2-3-8-27(25)35-29)20-28-32(40)37(33(41)38(28)30)23-11-9-21(10-12-23)31(39)34-13-14-36-15-17-43-18-16-36/h2-12,19,28,30,35H,13-18,20H2,1H3,(H,34,39)/t28-,30?/m0/s1
InChIKey
OSUNTCZVGXXOHW-MBCWZBCWSA-N
Synonyms
956994-23-3
16406247
4((11aS)5(3methoxyphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(2morpholinoethyl)benzamide
4((11aS)5(3methoxyphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(2(morpholin4yl)ethyl)benzamide
4((15~(S))10(3methoxyphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(2morpholin4ylethyl)benzamide
956994233
COc1cccc(c1)C1N2C(=O)N(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)c1ccc(cc1)C(=O)NCCN1CCOCC1
InChI=1SC33H33N5O5c1422464522(1924)302926(25723827(25)3529)202832(40)37(33(41)38(28)30)2311921(101223)31(39)34131436151743181636h21219283035H131820H21H3(H3439)t2830?m0s1
ZINC000070707303
ZINC000070707309

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Available files

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