Vitas-M small molecule compound

(12bS)-7-(4-ethylphenyl)-2-[2-(4-fluorophenyl)ethyl]-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL530066
SMILES CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCc1ccc(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 C31H30FN3O2 MW 495.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30FN3O2/c1-3-20-8-12-22(13-9-20)25-18-35-27(36)19-34(17-16-21-10-14-23(32)15-11-21)30(37)31(35,2)29-28(25)24-6-4-5-7-26(24)33-29/h4-15,25,33H,3,16-19H2,1-2H3/t25?,31-/m0/s1
InChIKey
WKBGQEFYWFYYHD-KHTLXAHUSA-N
Synonyms
957046-68-3
(12bS)7(4ethylphenyl)2(2(4fluorophenyl)ethyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4ethylphenyl)2(4fluorophenethyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4ethylphenyl)4(2(4fluorophenyl)ethyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402764
957046683
CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCc1ccc(cc1)F
InChI=1SC31H30FN3O2c132081222(13920)25183527(36)1934(171621101423(32)151121)30(37)31(352)2928(25)24645726(24)3329h4152533H31619H212H3t25?31m0s1
MFCD06494341
ZINC000008789089
ZINC000008789090

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Available files

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