Vitas-M small molecule compound

2-[(11aS)-1,3-dioxo-5-[4-(propan-2-yl)phenyl]-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
STL530180
SMILES COCCNC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccc(cc1)C(C)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 C32H32N4O4 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4O4/c1-19(2)20-12-14-21(15-13-20)29-28-24(22-8-4-6-10-25(22)34-28)18-27-31(38)36(32(39)35(27)29)26-11-7-5-9-23(26)30(37)33-16-17-40-3/h4-15,19,27,29,34H,16-18H2,1-3H3,(H,33,37)/t27-,29?/m0/s1
InChIKey
FGMYPDMSRDZODF-BVOOQYFDSA-N
Synonyms
956946-69-3
16403032
2((11aS)13dioxo5(4(propan2yl)phenyl)561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(2methoxyethyl)benzamide
2((11aS)5(4isopropylphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(2methoxyethyl)benzamide
2((15~(S))1214dioxo10(4propan2ylphenyl)81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(2methoxyethyl)benzamide
956946693
COCCNC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)C(C)C)c1c(C2)c2ccccc2(nH)1
InChI=1SC32H32N4O4c119(2)20121421(151320)292824(228461025(22)3428)182731(38)36(32(39)35(27)29)261175923(26)30(37)331617403h41519272934H1618H213H3(H3337)t2729?m0s1
MFCD06494940
ZINC000002133460
ZINC000002133462

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Available files

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