Vitas-M small molecule compound
(12bS)-2-(2-chloro-6-fluorobenzyl)-7-(2-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL530781
SMILES COc1ccccc1C1CN2C(=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 C29H25ClFN3O3 MW 517.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClFN3O3/c1-29-27-26(18-9-3-5-12-23(18)32-27)19(17-8-4-6-13-24(17)37-2)15-34(29)25(35)16-33(28(29)36)14-20-21(30)10-7-11-22(20)31/h3-13,19,32H,14-16H2,1-2H3/t19?,29-/m0/s1InChIKey
GMNKNCZHSBFJDQ-NEFVBLPJSA-NSynonyms
956966-50-0(12bS)2(2chloro6fluorobenzyl)7(2methoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(2chloro6fluorobenzyl)7(2methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4((2chloro6fluorophenyl)methyl)9(2methoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402250
956966500
COc1ccccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1c(F)cccc1Cl
InChI=1SC29H25ClFN3O3c1292726(189351223(18)3227)19(178461324(17)372)1534(29)25(35)1633(28(29)36)142021(30)1071122(20)31h3131932H1416H212H3t19?29m0s1
MFCD06493234
ZINC000012875461
ZINC000012875468
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