Vitas-M small molecule compound

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

Catalog ID
STL532519
SMILES COCCCNC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccc(cc1)C)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 C31H30N4O4 MW 522.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O4/c1-19-12-14-20(15-13-19)28-27-23(21-8-3-5-10-24(21)33-27)18-26-30(37)35(31(38)34(26)28)25-11-6-4-9-22(25)29(36)32-16-7-17-39-2/h3-6,8-15,26,28,33H,7,16-18H2,1-2H3,(H,32,36)/t26-,28?/m0/s1
InChIKey
ALHSXJDROXOAHM-QODXOHEASA-N
Synonyms
956919-42-9
~(N)(3methoxypropyl)2((15~(S))10(4methylphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzamide
16404307
2((11aS)13dioxo5(ptolyl)1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(3methoxypropyl)benzamide
956919429
COCCCNC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)C)c1c(C2)c2ccccc2(nH)1
InChI=1SC31H30N4O4c119121420(151319)282723(218351024(21)3327)182630(37)35(31(38)34(26)28)251164922(25)29(36)3216717392h36815262833H71618H212H3(H3236)t2628?m0s1
MFCD06766719
N(3methoxypropyl)2((11aS)5(4methylphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzamide
ZINC000008790462
ZINC000012883509

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Available files

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