Vitas-M small molecule compound
(12bS)-7-(3-ethoxy-4-propoxyphenyl)-2,12b-dimethyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529235
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)C
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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 C27H31N3O4 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4/c1-5-13-34-21-12-11-17(14-22(21)33-6-2)19-15-30-23(31)16-29(4)26(32)27(30,3)25-24(19)18-9-7-8-10-20(18)28-25/h7-12,14,19,28H,5-6,13,15-16H2,1-4H3/t19?,27-/m0/s1InChIKey
FWBCYVKNDRAKRA-NZVRHLSZSA-NSynonyms
956819-90-2(12bS)7(3ethoxy4propoxyphenyl)212bdimethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(3ethoxy4propoxyphenyl)212bdimethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3ethoxy4propoxyphenyl)24dimethyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402784
956819902
CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C
InChI=1SC27H31N3O4c15133421121117(1422(21)3362)19153023(31)1629(4)26(32)27(303)2524(19)189781020(18)2825h712141928H56131516H214H3t19?27m0s1
MFCD06494389
ZINC000008789102
ZINC000008789103
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