Vitas-M small molecule compound
(12bS)-7-(2,3-dimethoxyphenyl)-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
STL530353
SMILES COc1c(OC)cccc1C1CN2C(=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 C31H30FN3O4 MW 527.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30FN3O4/c1-31-29-27(22-7-4-5-9-24(22)33-29)23(21-8-6-10-25(38-2)28(21)39-3)17-35(31)26(36)18-34(30(31)37)16-15-19-11-13-20(32)14-12-19/h4-14,23,33H,15-18H2,1-3H3/t23?,31-/m0/s1InChIKey
HVBLCHWWYFFDSR-HPTWYVLESA-NSynonyms
956158-38-6(12bS)7(23dimethoxyphenyl)2(2(4fluorophenyl)ethyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(23dimethoxyphenyl)2(4fluorophenethyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(23dimethoxyphenyl)4(2(4fluorophenyl)ethyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403057
956158386
COc1c(OC)cccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCc1ccc(cc1)F
InChI=1SC31H30FN3O4c1312927(22745924(22)3329)23(21861025(382)28(21)393)1735(31)26(36)1834(30(31)37)161519111320(32)141219h4142333H1518H213H3t23?31m0s1
MFCD06495001
ZINC000008789343
ZINC000008789345
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