Vitas-M small molecule compound

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

Catalog ID
STL536679
SMILES CCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2OC)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 C27H31N3O4 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4/c1-4-5-8-13-29-16-24(31)30-22(27(29)32)15-20-18-9-6-7-10-21(18)28-25(20)26(30)19-12-11-17(33-2)14-23(19)34-3/h6-7,9-12,14,22,26,28H,4-5,8,13,15-16H2,1-3H3/t22-,26?/m0/s1
InChIKey
ACSMIUVCSCVFCN-CHQVSRGASA-N
Synonyms
956816-85-6
(12aS)6(24dimethoxyphenyl)2pentyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(24dimethoxyphenyl)2pentyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(24dimethoxyphenyl)6pentyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399846
956816856
CCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2OC)OC)(nH)c2c1cccc2
InChI=1SC27H31N3O4c145813291624(31)3022(27(29)32)1520189671021(18)2825(20)26(30)19121117(332)1423(19)343h6791214222628H458131516H213H3t2226?m0s1
MFCD04146060
ZINC000002104946
ZINC000002104947

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Available files

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