Vitas-M small molecule compound
(12aS)-2-cyclopentyl-6-(2,4-dimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537291
SMILES COc1ccc(c(c1)OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCCC1
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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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c1-33-17-11-12-19(23(13-17)34-2)26-25-20(18-9-5-6-10-21(18)28-25)14-22-27(32)29(15-24(31)30(22)26)16-7-3-4-8-16/h5-6,9-13,16,22,26,28H,3-4,7-8,14-15H2,1-2H3/t22-,26?/m0/s1InChIKey
AKFCVRVKCPKTNF-CHQVSRGASA-NSynonyms
956990-86-6(12aS)2cyclopentyl6(24dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclopentyl6(24dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclopentyl2(24dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399488
956990866
COc1ccc(c(c1)OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCC1
InChI=1SC27H29N3O4c13317111219(23(1317)342)262520(189561021(18)2825)142227(32)29(1524(31)30(22)26)16734816h5691316222628H34781415H212H3t2226?m0s1
MFCD04143974
ZINC000002100472
ZINC000002100475
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