Vitas-M small molecule compound

(12aS)-2-(2-ethylhexyl)-6-(3-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL536578
SMILES CCCCC(CN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)C)[nH]c2c1cccc2)CC

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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 C29H35N3O2 MW 457.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O2/c1-4-6-11-20(5-2)17-31-18-26(33)32-25(29(31)34)16-23-22-13-7-8-14-24(22)30-27(23)28(32)21-12-9-10-19(3)15-21/h7-10,12-15,20,25,28,30H,4-6,11,16-18H2,1-3H3/t20?,25-,28?/m0/s1
InChIKey
PMOXYJGEPHCCRY-IJWOKDSUSA-N
Synonyms
956941-81-4
(12aS)2(2ethylhexyl)6(3methylphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(2ethylhexyl)6(mtolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(2ethylhexyl)2(3methylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399438
956941814
CCCCC(CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)C)(nH)c2c1cccc2)CC
InChI=1SC29H35N3O2c1461120(52)17311826(33)3225(29(31)34)16232213781424(22)3027(23)28(32)211291019(3)1521h710121520252830H46111618H213H3t20?2528?m0s1
MFCD04143711
ZINC000002155155
ZINC000002155163

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Available files

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