Vitas-M small molecule compound
(12aS)-6-(3,4-dimethoxyphenyl)-2-(4-fluorobenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537800
SMILES COc1cc(ccc1OC)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 C29H26FN3O4 MW 499.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FN3O4/c1-36-24-12-9-18(13-25(24)37-2)28-27-21(20-5-3-4-6-22(20)31-27)14-23-29(35)32(16-26(34)33(23)28)15-17-7-10-19(30)11-8-17/h3-13,23,28,31H,14-16H2,1-2H3/t23-,28?/m0/s1InChIKey
HSIIMOPXCLEGKM-UHFKCPIBSA-NSynonyms
956942-54-4(12aS)6(34dimethoxyphenyl)2(4fluorobenzyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(34dimethoxyphenyl)2(4fluorobenzyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(34dimethoxyphenyl)6((4fluorophenyl)methyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399767
956942544
COc1cc(ccc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc(cc1)F
InChI=1SC29H26FN3O4c1362412918(1325(24)372)282721(20534622(20)3127)142329(35)32(1626(34)33(23)28)151771019(30)11817h313232831H1416H212H3t2328?m0s1
MFCD04145519
ZINC000002103558
ZINC000002103559
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