Vitas-M small molecule compound

(12aS)-2-(5-hydroxypentyl)-6-(3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL537018
SMILES OCCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-33-18-9-7-8-17(14-18)25-24-20(19-10-3-4-11-21(19)27-24)15-22-26(32)28(12-5-2-6-13-30)16-23(31)29(22)25/h3-4,7-11,14,22,25,27,30H,2,5-6,12-13,15-16H2,1H3/t22-,25?/m0/s1
InChIKey
UCVOFJJWDHOBRJ-XADRRFQNSA-N
Synonyms
956974-60-0
(12aS)2(5hydroxypentyl)6(3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(5hydroxypentyl)6(3methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(5hydroxypentyl)2(3methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399555
956974600
InChI=1SC26H29N3O4c1331897817(1418)252420(1910341121(19)2724)152226(32)28(125261330)1623(31)29(22)25h347111422252730H25612131516H21H3t2225?m0s1
MFCD04144326
OCCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)OC)(nH)c2c1cccc2
ZINC000002156227
ZINC000002156230

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Available files

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