Vitas-M small molecule compound

(12aR)-2-cyclopentyl-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
STL527871
SMILES O=C1N(CC(=O)N2[C@@H]1Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2)C1CCCC1

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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 C28H31N3O2 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2/c1-17(2)18-11-13-19(14-12-18)27-26-22(21-9-5-6-10-23(21)29-26)15-24-28(33)30(16-25(32)31(24)27)20-7-3-4-8-20/h5-6,9-14,17,20,24,27,29H,3-4,7-8,15-16H2,1-2H3/t24-,27?/m1/s1
InChIKey
KTIRBLVXQUYOFW-DXDQHDRFSA-N
Synonyms

(12aR)2cyclopentyl6(4(propan2yl)phenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2cyclopentyl6(4isopropylphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6cyclopentyl2(4propan2ylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639326
InChI=1SC28H31N3O2c117(2)18111319(141218)272622(219561023(21)2926)152428(33)30(1625(32)31(24)27)20734820h569141720242729H34781516H212H3t2427?m1s1
MFCD03661258
O=C1N(CC(=O)N2(C@H)1Cc1c(C2c2ccc(cc2)C(C)C)(nH)c2c1cccc2)C1CCCC1
ZINC000016042520
ZINC000016042521

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Available files

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