Vitas-M small molecule compound

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

Catalog ID
STL530577
SMILES COc1ccc(cc1)C1N2C(=O)N(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)c1ccc(cc1)C(=O)NCCCOC(C)C

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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 C33H34N4O5 MW 566.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N4O5/c1-20(2)42-18-6-17-34-31(38)22-9-13-23(14-10-22)36-32(39)28-19-26-25-7-4-5-8-27(25)35-29(26)30(37(28)33(36)40)21-11-15-24(41-3)16-12-21/h4-5,7-16,20,28,30,35H,6,17-19H2,1-3H3,(H,34,38)/t28-,30?/m0/s1
InChIKey
HJYAUMWUGKUAMR-MBCWZBCWSA-N
Synonyms
956921-33-8
16405572
4((11aS)5(4methoxyphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(3(propan2yloxy)propyl)benzamide
4((15~(S))10(4methoxyphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(3propan2yloxypropyl)benzamide
956921338
COc1ccc(cc1)C1N2C(=O)N(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)c1ccc(cc1)C(=O)NCCCOC(C)C
InChI=1SC33H34N4O5c120(2)42186173431(38)2291323(141022)3632(39)28192625745827(25)3529(26)30(37(28)33(36)40)21111524(413)161221h4571620283035H61719H213H3(H3438)t2830?m0s1
N(3isopropoxypropyl)4((11aS)5(4methoxyphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamide
ZINC000070705001
ZINC000070705006

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Available files

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