Vitas-M small molecule compound
(12aS)-6-(4-ethoxy-3-methoxyphenyl)-2-(4-fluorobenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537611
SMILES CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccc(cc1)F
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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 C30H28FN3O4 MW 513.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28FN3O4/c1-3-38-25-13-10-19(14-26(25)37-2)29-28-22(21-6-4-5-7-23(21)32-28)15-24-30(36)33(17-27(35)34(24)29)16-18-8-11-20(31)12-9-18/h4-14,24,29,32H,3,15-17H2,1-2H3/t24-,29?/m0/s1InChIKey
ZWKBVIXTYLRQAD-CTLOQAHHSA-NSynonyms
956943-11-6(12aS)6(4ethoxy3methoxyphenyl)2(4fluorobenzyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(4ethoxy3methoxyphenyl)2(4fluorobenzyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(4ethoxy3methoxyphenyl)6((4fluorophenyl)methyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401382
956943116
CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc(cc1)F
InChI=1SC30H28FN3O4c133825131019(1426(25)372)292822(21645723(21)3228)152430(36)33(1727(35)34(24)29)161881120(31)12918h414242932H31517H212H3t2429?m0s1
MFCD05674301
ZINC000002118624
ZINC000002118626
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