Vitas-M small molecule compound

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

Catalog ID
STL530183
SMILES COCCCNC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1cccc(c1)Cl)c1c(C2)c2ccccc2[nH]1

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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 C30H27ClN4O4 MW 543.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN4O4/c1-39-15-7-14-32-28(36)21-11-3-5-13-24(21)35-29(37)25-17-22-20-10-2-4-12-23(20)33-26(22)27(34(25)30(35)38)18-8-6-9-19(31)16-18/h2-6,8-13,16,25,27,33H,7,14-15,17H2,1H3,(H,32,36)/t25-,27?/m0/s1
InChIKey
WNVBFNQVCWCHDT-PVCWFJFTSA-N
Synonyms
956914-86-6
16404204
2((11aS)5(3chlorophenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(3methoxypropyl)benzamide
2((11aS)5(3chlorophenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(3methoxypropyl)benzamide
2((15~(S))10(3chlorophenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(3methoxypropyl)benzamide
956914866
COCCCNC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1cccc(c1)Cl)c1c(C2)c2ccccc2(nH)1
InChI=1SC30H27ClN4O4c139157143228(36)2111351324(21)3529(37)2517222010241223(20)3326(22)27(34(25)30(35)38)1886919(31)1618h2681316252733H7141517H21H3(H3236)t2527?m0s1
MFCD06766439
ZINC000070700146
ZINC000070700149

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Available files

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