Vitas-M small molecule compound
(12bS)-2-(2-chloro-6-fluorobenzyl)-7-(2-ethoxy-3-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529250
SMILES CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1c(F)cccc1Cl
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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 C31H29ClFN3O4 MW 562.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClFN3O4/c1-4-40-28-18(10-7-14-25(28)39-3)20-16-36-26(37)17-35(15-21-22(32)11-8-12-23(21)33)30(38)31(36,2)29-27(20)19-9-5-6-13-24(19)34-29/h5-14,20,34H,4,15-17H2,1-3H3/t20?,31-/m0/s1InChIKey
YRCZDTLFSYSOQF-NIWHYCETSA-NSynonyms
956948-51-9(12bS)2(2chloro6fluorobenzyl)7(2ethoxy3methoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(2chloro6fluorobenzyl)7(2ethoxy3methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4((2chloro6fluorophenyl)methyl)9(2ethoxy3methoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16404843
956948519
CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1c(F)cccc1Cl
InChI=1SC31H29ClFN3O4c14402818(1071425(28)393)20163626(37)1735(152122(32)1181223(21)33)30(38)31(362)2927(20)199561324(19)3429h5142034H41517H213H3t20?31m0s1
MFCD06768240
ZINC000070701079
ZINC000070701082
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.