Vitas-M small molecule compound

(12aS)-2-(butan-2-yl)-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL537669
SMILES CCC(N1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2)C

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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 C27H31N3O2 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O2/c1-5-17(4)29-15-24(31)30-23(27(29)32)14-21-20-8-6-7-9-22(20)28-25(21)26(30)19-12-10-18(11-13-19)16(2)3/h6-13,16-17,23,26,28H,5,14-15H2,1-4H3/t17?,23-,26?/m0/s1
InChIKey
XDBHFLWZLDVQGE-SPYQMNCUSA-N
Synonyms

(12aR)2(secbutyl)6(4isopropylphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(butan2yl)6(4(propan2yl)phenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6butan2yl2(4propan2ylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639496
CCC(N1CC(=O)N2(C@@H)(C1=O)Cc1c(C2c2ccc(cc2)C(C)C)(nH)c2c1cccc2)C
InChI=1SC27H31N3O2c1517(4)291524(31)3023(27(29)32)142120867922(20)2825(21)26(30)19121018(111319)16(2)3h6131617232628H51415H214H3t17?2326?m0s1
MFCD04142574
ZINC000016043085
ZINC000043741330

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Available files

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