Vitas-M small molecule compound

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

Catalog ID
STL537307
SMILES COc1ccc(c(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccc(c(c1)OC)OC)OC

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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 C31H31N3O6 MW 541.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O6/c1-37-19-10-12-25(38-2)22(14-19)30-29-21(20-7-5-6-8-23(20)32-29)15-24-31(36)33(17-28(35)34(24)30)16-18-9-11-26(39-3)27(13-18)40-4/h5-14,24,30,32H,15-17H2,1-4H3/t24-,30?/m0/s1
InChIKey
RURUIAPKNYLBTH-YJJLJQPASA-N
Synonyms
956997-16-3
(12aS)2(34dimethoxybenzyl)6(25dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(34dimethoxybenzyl)6(25dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(25dimethoxyphenyl)6((34dimethoxyphenyl)methyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399702
956997163
COc1ccc(c(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc(c(c1)OC)OC)OC
InChI=1SC31H31N3O6c13719101225(382)22(1419)302921(20756823(20)3229)152431(36)33(1728(35)34(24)30)161891126(393)27(1318)404h514243032H1517H214H3t2430?m0s1
MFCD04145177
ZINC000002156970
ZINC000002156974

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Available files

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