Vitas-M small molecule compound

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

Catalog ID
STL527811
SMILES COc1ccc(cc1)C1N2C(=O)CN(C(=O)[C@H]2Cc2c1[nH]c1c2cccc1)CCC1=CCCCC1

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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 C29H31N3O3 MW 469.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3/c1-35-21-13-11-20(12-14-21)28-27-23(22-9-5-6-10-24(22)30-27)17-25-29(34)31(18-26(33)32(25)28)16-15-19-7-3-2-4-8-19/h5-7,9-14,25,28,30H,2-4,8,15-18H2,1H3/t25-,28?/m1/s1
InChIKey
LAXJEYMYZDJABE-RXVAYIKUSA-N
Synonyms

(12aR)2(2(cyclohex1en1yl)ethyl)6(4methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(2(cyclohex1en1yl)ethyl)6(4methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6(2(cyclohexen1yl)ethyl)2(4methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639315
COc1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCC1=CCCCC1
InChI=1SC29H31N3O3c13521131120(121421)282723(229561024(22)3027)172529(34)31(1826(33)32(25)28)1615197324819h57914252830H2481518H21H3t2528?m1s1
MFCD03662247
ZINC000016031271
ZINC000016031273

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Available files

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