Vitas-M small molecule compound

N-(3-butoxypropyl)-2-[(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
STL537325
SMILES CCCCOCCCNC(=O)c1ccccc1N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cc(cc3)OC

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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 C29H34N4O5 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O5/c1-4-5-16-38-17-8-14-30-26(34)21-9-6-7-10-24(21)33-27(35)29(2)25-20(13-15-32(29)28(33)36)22-18-19(37-3)11-12-23(22)31-25/h6-7,9-12,18,31H,4-5,8,13-17H2,1-3H3,(H,30,34)/t29-/m0/s1
InChIKey
BSBWUCGUJANHAF-LJAQVGFWSA-N
Synonyms
956933-24-7
(S)N(3butoxypropyl)2(8methoxy11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)benzamide
~(N)(3butoxypropyl)2((2~(S))12methoxy2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)10(15)1113tetraen4yl)benzamide
16400601
956933247
CCCCOCCCNC(=O)c1ccccc1N1C(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cc(cc3)OC
InChI=1SC29H34N4O5c1451638178143026(34)219671024(21)3327(35)29(2)2520(131532(29)28(33)36)221819(373)111223(22)3125h679121831H4581317H213H3(H3034)t29m0s1
MFCD05671694
N(3butoxypropyl)2((11bS)8methoxy11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)benzamide
ZINC000008918309
ZINC8918309

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Available files

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