Vitas-M small molecule compound

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

Catalog ID
STL536754
SMILES COc1cc(ccc1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccco1

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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 C27H25N3O5 MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5/c1-33-22-10-9-16(12-23(22)34-2)26-25-19(18-7-3-4-8-20(18)28-25)13-21-27(32)29(15-24(31)30(21)26)14-17-6-5-11-35-17/h3-12,21,26,28H,13-15H2,1-2H3/t21-,26?/m0/s1
InChIKey
IWNDJNJZIWFDHF-GVNKFJBHSA-N
Synonyms
956997-08-3
(12aS)6(34dimethoxyphenyl)2(furan2ylmethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(34dimethoxyphenyl)2(furan2ylmethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(34dimethoxyphenyl)6(furan2ylmethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399673
956997083
COc1cc(ccc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccco1
InChI=1SC27H25N3O5c1332210916(1223(22)342)262519(18734820(18)2825)132127(32)29(1524(31)30(21)26)141765113517h312212628H1315H212H3t2126?m0s1
MFCD04144995
ZINC000002103097
ZINC000002103099

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Available files

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