Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-4-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]benzamide

Catalog ID
STL540985
SMILES COc1ccc2c(c1)c1CCN3[C@](c1[nH]2)(C)C(=O)N(C3=O)c1ccc(cc1)C(=O)NCc1ccc2c(c1)OCO2

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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 C30H26N4O6 MW 538.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N4O6/c1-30-26-21(22-14-20(38-2)8-9-23(22)32-26)11-12-33(30)29(37)34(28(30)36)19-6-4-18(5-7-19)27(35)31-15-17-3-10-24-25(13-17)40-16-39-24/h3-10,13-14,32H,11-12,15-16H2,1-2H3,(H,31,35)/t30-/m0/s1
InChIKey
QSOUBVLKRMRHTF-PMERELPUSA-N
Synonyms
956204-68-5
(S)N(benzo(d)(13)dioxol5ylmethyl)4(8methoxy11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)benzamide
~(N)(13benzodioxol5ylmethyl)4((2~(S))12methoxy2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)10(15)1113tetraen4yl)benzamide
6571271
956204685
COc1ccc2c(c1)c1CCN3(C@)(c1(nH)2)(C)C(=O)N(C3=O)c1ccc(cc1)C(=O)NCc1ccc2c(c1)OCO2
InChI=1SC30H26N4O6c1302621(221420(382)8923(22)3226)111233(30)29(37)34(28(30)36)196418(5719)27(35)3115173102425(1317)40163924h310131432H11121516H212H3(H3135)t30m0s1
MFCD05672034
N(13benzodioxol5ylmethyl)4((11bS)8methoxy11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)benzamide
ZINC000070687776
ZINC70687776

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Available files

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