Vitas-M small molecule compound
(12bS)-2-(2-chloro-6-fluorobenzyl)-7-(3-methoxy-4-propoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL565396
SMILES CCCOc1ccc(cc1OC)C1CN2C(=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 C32H31ClFN3O4 MW 576.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31ClFN3O4/c1-4-14-41-26-13-12-19(15-27(26)40-3)21-17-37-28(38)18-36(16-22-23(33)9-7-10-24(22)34)31(39)32(37,2)30-29(21)20-8-5-6-11-25(20)35-30/h5-13,15,21,35H,4,14,16-18H2,1-3H3/t21?,32-/m0/s1InChIKey
JHTZVQHNPIOIHK-SOFIOUBHSA-NSynonyms
956972-67-1(12bS)2(2chloro6fluorobenzyl)7(3methoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(2chloro6fluorobenzyl)7(3methoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2S)4((2chloro6fluorophenyl)methyl)9(3methoxy4propoxyphenyl)2methyl4717triazatetracyclo(87002701116)heptadeca1(10)111315tetraene36dione
16405166
956972671
CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1c(F)cccc1Cl
InChI=1SC32H31ClFN3O4c14144126131219(1527(26)403)21173728(38)1836(162223(33)971024(22)34)31(39)32(372)3029(21)208561125(20)3530h513152135H4141618H213H3t21?32m0s1
ZINC000070701446
ZINC000070701448
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.