Vitas-M small molecule compound
(12aR)-2-hexyl-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528149
SMILES CCCCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cc(OC)c(c(c2)OC)OC)[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 C29H35N3O5 MW 505.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O5/c1-5-6-7-10-13-31-17-25(33)32-22(29(31)34)16-20-19-11-8-9-12-21(19)30-26(20)27(32)18-14-23(35-2)28(37-4)24(15-18)36-3/h8-9,11-12,14-15,22,27,30H,5-7,10,13,16-17H2,1-4H3/t22-,27?/m1/s1InChIKey
XZLXUNJWBUEGNY-XVPAFAEQSA-NSynonyms
956954-33-9(12aR)2hexyl6(345trimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aR)2hexyl6(345trimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(R))6hexyl2(345trimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16398686
956954339
CCCCCCN1CC(=O)N2(C@@H)(C1=O)Cc1c(C2c2cc(OC)c(c(c2)OC)OC)(nH)c2c1cccc2
InChI=1SC29H35N3O5c15671013311725(33)3222(29(31)34)16201911891221(19)3026(20)27(32)181423(352)28(374)24(1518)363h8911121415222730H5710131617H214H3t2227?m1s1
MFCD03851124
ZINC000002148313
ZINC000002148316
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