Vitas-M small molecule compound

(12aS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL457938
SMILES COc1ccc(cc1OC)CCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[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 C30H28N4O6 MW 540.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O6/c1-39-25-11-10-18(14-26(25)40-2)12-13-32-17-27(35)33-24(30(32)36)16-22-21-8-3-4-9-23(21)31-28(22)29(33)19-6-5-7-20(15-19)34(37)38/h3-11,14-15,24,29,31H,12-13,16-17H2,1-2H3/t24-,29?/m0/s1
InChIKey
RWOZBOIYDAWRQA-CTLOQAHHSA-N
Synonyms
956976-88-8
(12aS)2(2(34dimethoxyphenyl)ethyl)6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(34dimethoxyphenethyl)6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2homoveratryl6(3nitrophenyl)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
956976888
COC1=C(C=C(C=C1)CCN2CC(=O)N3C(C2=O)CC4=C(C3C5=CC(=CC=C5)(N+)(=O)(O))NC6=CC=CC=C46)OC
COc1ccc(cc1OC)CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)(N+)(=O)(O))(nH)c2c1cccc2
InChI=1SC30H28N4O6c13925111018(1426(25)402)1213321727(35)3324(30(32)36)162221834923(21)3128(22)29(33)1965720(1519)34(37)38h3111415242931H12131617H212H3t2429?m0s1
MFCD03660339
ZINC000002152119
ZINC000002152123

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Available files

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