Vitas-M small molecule compound

(12aS)-2-(2-hydroxy-2-phenylethyl)-6-(3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL546448
SMILES COc1cccc(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CC(c1ccccc1)O

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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 C29H27N3O4 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4/c1-36-20-11-7-10-19(14-20)28-27-22(21-12-5-6-13-23(21)30-27)15-24-29(35)31(17-26(34)32(24)28)16-25(33)18-8-3-2-4-9-18/h2-14,24-25,28,30,33H,15-17H2,1H3/t24-,25?,28?/m0/s1
InChIKey
AFUUQXZOMDAGHU-UBWKCHSSSA-N
Synonyms
956955-75-2
(12aS)2(2hydroxy2phenylethyl)6(3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(2hydroxy2phenylethyl)6(3methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(2hydroxy2phenylethyl)2(3methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399842
956955752
COc1cccc(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CC(c1ccccc1)O
InChI=1SC29H27N3O4c136201171019(1420)282722(2112561323(21)3027)152429(35)31(1726(34)32(24)28)1625(33)188324918h2142425283033H1517H21H3t2425?28?m0s1
MFCD04146003
ZINC000002104789
ZINC000002104795

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Available files

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