Vitas-M small molecule compound

(12aS)-2-[3-(1H-imidazol-1-yl)propyl]-6-(3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL548773
SMILES COc1cccc(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCCn1ccnc1

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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 C27H27N5O3 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3/c1-35-19-7-4-6-18(14-19)26-25-21(20-8-2-3-9-22(20)29-25)15-23-27(34)31(16-24(33)32(23)26)12-5-11-30-13-10-28-17-30/h2-4,6-10,13-14,17,23,26,29H,5,11-12,15-16H2,1H3/t23-,26?/m0/s1
InChIKey
IOWQGRRXZHHWQO-ZZHFZYNASA-N
Synonyms
956935-42-5
(12aS)2(3(1Himidazol1yl)propyl)6(3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(3(1Himidazol1yl)propyl)6(3methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(3imidazol1ylpropyl)2(3methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399957
956935425
COc1cccc(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCCn1ccnc1
InChI=1SC27H27N5O3c1351974618(1419)262521(20823922(20)2925)152327(34)31(1624(33)32(23)26)12511301310281730h24610131417232629H511121516H21H3t2326?m0s1
MFCD04146699
ZINC000008917976
ZINC000008918535

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Available files

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