Vitas-M small molecule compound
(12aS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-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
STL457951
SMILES COc1ccc(cc1OC)CCN1CC(=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 C33H35N3O7 MW 585.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O7/c1-39-25-11-10-19(14-26(25)40-2)12-13-35-18-29(37)36-24(33(35)38)17-22-21-8-6-7-9-23(21)34-30(22)31(36)20-15-27(41-3)32(43-5)28(16-20)42-4/h6-11,14-16,24,31,34H,12-13,17-18H2,1-5H3/t24-,31?/m0/s1InChIKey
WBRGRGUCVHHAQE-ACXKHFGCSA-NSynonyms
956969-03-2(12aS)2(2(34dimethoxyphenyl)ethyl)6(345trimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(34dimethoxyphenethyl)6(345trimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2homoveratryl6(345trimethoxyphenyl)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
956969032
COC1=C(C=C(C=C1)CCN2CC(=O)N3C(C2=O)CC4=C(C3C5=CC(=C(C(=C5)OC)OC)OC)NC6=CC=CC=C46)OC
COc1ccc(cc1OC)CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cc(OC)c(c(c2)OC)OC)(nH)c2c1cccc2
InChI=1SC33H35N3O7c13925111019(1426(25)402)1213351829(37)3624(33(35)38)172221867923(21)3430(22)31(36)201527(413)32(435)28(1620)424h6111416243134H12131718H215H3t2431?m0s1
MFCD03852329
ZINC000002092892
ZINC000002092896
Check stock
See real-time availability and sample size for STL457951 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.