Vitas-M small molecule compound
(12bS)-2-(2-chloro-6-fluorobenzyl)-7-(4-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528641
SMILES COc1ccc(cc1)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 C29H25ClFN3O3 MW 517.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClFN3O3/c1-29-27-26(19-6-3-4-9-24(19)32-27)20(17-10-12-18(37-2)13-11-17)15-34(29)25(35)16-33(28(29)36)14-21-22(30)7-5-8-23(21)31/h3-13,20,32H,14-16H2,1-2H3/t20?,29-/m0/s1InChIKey
RMWSWKNBJDWHSZ-PRTIIRGTSA-NSynonyms
956973-73-2(12bS)2(2chloro6fluorobenzyl)7(4methoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(2chloro6fluorobenzyl)7(4methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4((2chloro6fluorophenyl)methyl)9(4methoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402945
956973732
COc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1c(F)cccc1Cl
InChI=1SC29H25ClFN3O3c1292726(19634924(19)3227)20(17101218(372)131117)1534(29)25(35)1633(28(29)36)142122(30)75823(21)31h3132032H1416H212H3t20?29m0s1
MFCD06494742
ZINC000008789220
ZINC000012878676
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