Vitas-M small molecule compound

(12aR)-2-[2-(cyclohex-1-en-1-yl)ethyl]-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL527346
SMILES O=C1N(CCC2=CCCCC2)CC(=O)N2[C@@H]1Cc1c(C2c2ccccc2)[nH]c2c1cccc2

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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 C28H29N3O2 MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O2/c32-25-18-30(16-15-19-9-3-1-4-10-19)28(33)24-17-22-21-13-7-8-14-23(21)29-26(22)27(31(24)25)20-11-5-2-6-12-20/h2,5-9,11-14,24,27,29H,1,3-4,10,15-18H2/t24-,27?/m1/s1
InChIKey
KXGJTPOHAWXRTK-DXDQHDRFSA-N
Synonyms

(12aR)2(2(cyclohex1en1yl)ethyl)6phenyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(2(cyclohex1en1yl)ethyl)6phenyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6(2(cyclohexen1yl)ethyl)2phenyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639251
InChI=1SC28H29N3O2c32251830(16151993141019)28(33)2417222113781423(21)2926(22)27(31(24)25)20115261220h2591114242729H134101518H2t2427?m1s1
O=C1N(CCC2=CCCCC2)CC(=O)N2(C@H)1Cc1c(C2c2ccccc2)(nH)c2c1cccc2
ZINC000016031430
ZINC000016031432

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Available files

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