Vitas-M small molecule compound

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

Catalog ID
STL548584
SMILES CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CC1

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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 C26H27N3O4 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4/c1-3-33-21-11-8-15(12-22(21)32-2)25-24-18(17-6-4-5-7-19(17)27-24)13-20-26(31)28(16-9-10-16)14-23(30)29(20)25/h4-8,11-12,16,20,25,27H,3,9-10,13-14H2,1-2H3/t20-,25?/m0/s1
InChIKey
BENGHDNIFQVXNW-JINQPTGOSA-N
Synonyms
956816-60-7
(12aS)2cyclopropyl6(4ethoxy3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclopropyl6(4ethoxy3methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclopropyl2(4ethoxy3methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401055
956816607
CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CC1
InChI=1SC26H27N3O4c13332111815(1222(21)322)252418(17645719(17)2724)132026(31)28(1691016)1423(30)29(20)25h48111216202527H39101314H212H3t2025?m0s1
MFCD05672600
ZINC000002112869
ZINC000002112870

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Available files

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