Vitas-M small molecule compound
(12bS)-7-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorobenzyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528868
SMILES CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1ccc(cc1)F
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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 C31H30FN3O4 MW 527.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30FN3O4/c1-4-39-28-21(9-7-11-25(28)38-3)23-17-35-26(36)18-34(16-19-12-14-20(32)15-13-19)30(37)31(35,2)29-27(23)22-8-5-6-10-24(22)33-29/h5-15,23,33H,4,16-18H2,1-3H3/t23?,31-/m0/s1InChIKey
PQDHLJDHVAXYRF-HPTWYVLESA-NSynonyms
956812-68-3(12bS)7(2ethoxy3methoxyphenyl)2(4fluorobenzyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(2ethoxy3methoxyphenyl)2(4fluorobenzyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(2ethoxy3methoxyphenyl)4((4fluorophenyl)methyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402041
956812683
CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1ccc(cc1)F
InChI=1SC31H30FN3O4c14392821(971125(28)383)23173526(36)1834(1619121420(32)151319)30(37)31(352)2927(23)228561024(22)3329h5152333H41618H213H3t23?31m0s1
MFCD06492766
ZINC000012873497
ZINC000012873505
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