Vitas-M small molecule compound

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

Catalog ID
STL537864
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCCCCC1

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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 C29H33N3O3 MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O3/c1-2-35-25-16-10-8-14-21(25)28-27-22(20-13-7-9-15-23(20)30-27)17-24-29(34)31(18-26(33)32(24)28)19-11-5-3-4-6-12-19/h7-10,13-16,19,24,28,30H,2-6,11-12,17-18H2,1H3/t24-,28?/m0/s1
InChIKey
NWOMPANTPNQSPO-ZZDYIDRTSA-N
Synonyms
956920-22-2
(12aS)2cycloheptyl6(2ethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cycloheptyl6(2ethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cycloheptyl2(2ethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400347
956920222
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCCCC1
InChI=1SC29H33N3O3c123525161081421(25)282722(2013791523(20)3027)172429(34)31(1826(33)32(24)28)191153461219h710131619242830H2611121718H21H3t2428?m0s1
MFCD05671272
ZINC000002109723
ZINC000002109724

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Available files

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