Vitas-M small molecule compound

(12aR)-2-(2-methoxybenzyl)-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
STL527875
SMILES COc1ccccc1CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[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 C31H31N3O3 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O3/c1-19(2)20-12-14-21(15-13-20)30-29-24(23-9-5-6-10-25(23)32-29)16-26-31(36)33(18-28(35)34(26)30)17-22-8-4-7-11-27(22)37-3/h4-15,19,26,30,32H,16-18H2,1-3H3/t26-,30?/m1/s1
InChIKey
PIHNXPWCRIIZRE-FIQOPJFZSA-N
Synonyms

(12aR)2(2methoxybenzyl)6(4(propan2yl)phenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(4isopropylphenyl)2(2methoxybenzyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6((2methoxyphenyl)methyl)2(4propan2ylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639327
COc1ccccc1CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C(C)C)(nH)c2c1cccc2
InChI=1SC31H31N3O3c119(2)20121421(151320)302924(239561025(23)3229)162631(36)33(1828(35)34(26)30)17228471127(22)373h41519263032H1618H213H3t2630?m1s1
MFCD03662230
ZINC000016042481
ZINC000016042482

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Available files

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