Vitas-M small molecule compound
(12aS)-6-(2,5-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
STL536638
SMILES COc1ccc(c(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccc(cc1)F)OC
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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/c1-36-19-11-12-25(37-2)22(13-19)28-27-21(20-5-3-4-6-23(20)31-27)14-24-29(35)32(16-26(34)33(24)28)15-17-7-9-18(30)10-8-17/h3-13,24,28,31H,14-16H2,1-2H3/t24-,28?/m0/s1InChIKey
LROAAUPURJQDKB-ZZDYIDRTSA-NSynonyms
956955-23-0(12aS)6(25dimethoxyphenyl)2(4fluorobenzyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(25dimethoxyphenyl)2(4fluorobenzyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(25dimethoxyphenyl)6((4fluorophenyl)methyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399706
956955230
COc1ccc(c(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc(cc1)F)OC
InChI=1SC29H26FN3O4c13619111225(372)22(1319)282721(20534623(20)3127)142429(35)32(1626(34)33(24)28)15177918(30)10817h313242831H1416H212H3t2428?m0s1
MFCD04145202
ZINC000002157061
ZINC000002157065
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