Vitas-M small molecule compound

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

Catalog ID
STL532500
SMILES COCCNC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccc(cc1)F)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 C29H25FN4O4 MW 512.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN4O4/c1-38-15-14-31-27(35)20-7-3-5-9-23(20)34-28(36)24-16-21-19-6-2-4-8-22(19)32-25(21)26(33(24)29(34)37)17-10-12-18(30)13-11-17/h2-13,24,26,32H,14-16H2,1H3,(H,31,35)/t24-,26?/m0/s1
InChIKey
VJULYHOPFXCMAY-QSAPEBAKSA-N
Synonyms
956935-61-8
16404394
2((11aS)5(4fluorophenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(2methoxyethyl)benzamide
2((11aS)5(4fluorophenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(2methoxyethyl)benzamide
2((15~(S))10(4fluorophenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(2methoxyethyl)benzamide
956935618
COCCNC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)F)c1c(C2)c2ccccc2(nH)1
InChI=1SC29H25FN4O4c13815143127(35)20735923(20)3428(36)24162119624822(19)3225(21)26(33(24)29(34)37)17101218(30)131117h213242632H1416H21H3(H3135)t2426?m0s1
MFCD06766953
ZINC000008790551
ZINC000008790552

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Available files

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