Vitas-M small molecule compound
(12bS)-7-(3-ethoxy-4-propoxyphenyl)-2-(2-hydroxyethyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528821
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCO
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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 C28H33N3O5 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O5/c1-4-14-36-22-11-10-18(15-23(22)35-5-2)20-16-31-24(33)17-30(12-13-32)27(34)28(31,3)26-25(20)19-8-6-7-9-21(19)29-26/h6-11,15,20,29,32H,4-5,12-14,16-17H2,1-3H3/t20?,28-/m0/s1InChIKey
MKAZWVQWIVARJP-GPIXMLASSA-NSynonyms
956946-70-6(12bS)7(3ethoxy4propoxyphenyl)2(2hydroxyethyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(3ethoxy4propoxyphenyl)2(2hydroxyethyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3ethoxy4propoxyphenyl)4(2hydroxyethyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403037
956946706
CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCO
InChI=1SC28H33N3O5c14143622111018(1523(22)3552)20163124(33)1730(121332)27(34)28(313)2625(20)19867921(19)2926h61115202932H4512141617H213H3t20?28m0s1
MFCD06494947
ZINC000008789318
ZINC000012878964
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