Vitas-M small molecule compound

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

Catalog ID
STL537827
SMILES COc1cccc(c1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccccc1

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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 C29H27N3O4 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4/c1-35-24-14-8-12-20(28(24)36-2)27-26-21(19-11-6-7-13-22(19)30-26)15-23-29(34)31(17-25(33)32(23)27)16-18-9-4-3-5-10-18/h3-14,23,27,30H,15-17H2,1-2H3/t23-,27?/m0/s1
InChIKey
QEVQWBWRVGQWPH-DCCUJTHKSA-N
Synonyms
956920-55-1
(12aS)2benzyl6(23dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2benzyl6(23dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6benzyl2(23dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399176
956920551
COc1cccc(c1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccccc1
InChI=1SC29H27N3O4c135241481220(28(24)362)272621(1911671322(19)3026)152329(34)31(1725(33)32(23)27)161894351018h314232730H1517H212H3t2327?m0s1
MFCD04142109
ZINC000002152402
ZINC000002152404

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Available files

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