Vitas-M small molecule compound

(12aS)-2-cyclooctyl-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
STL537125
SMILES CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCCCCCC1

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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 C31H37N3O4 MW 515.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O4/c1-3-38-26-16-15-20(17-27(26)37-2)30-29-23(22-13-9-10-14-24(22)32-29)18-25-31(36)33(19-28(35)34(25)30)21-11-7-5-4-6-8-12-21/h9-10,13-17,21,25,30,32H,3-8,11-12,18-19H2,1-2H3/t25-,30?/m0/s1
InChIKey
LDXBJCZFVBHSOH-SUHMBNCMSA-N
Synonyms
956942-64-6
(12aS)2cyclooctyl6(4ethoxy3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclooctyl6(4ethoxy3methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclooctyl2(4ethoxy3methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401058
956942646
CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCCCCC1
InChI=1SC31H37N3O4c133826161520(1727(26)372)302923(22139101424(22)3229)182531(36)33(1928(35)34(25)30)2111754681221h910131721253032H3811121819H212H3t2530?m0s1
MFCD05672609
ZINC000002112886
ZINC000002112888

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Available files

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