Vitas-M small molecule compound
(12bS)-2-(butan-2-yl)-7-(3-methoxy-4-propoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528867
SMILES CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)C(CC)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 C29H35N3O4 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O4/c1-6-14-36-23-13-12-19(15-24(23)35-5)21-16-32-25(33)17-31(18(3)7-2)28(34)29(32,4)27-26(21)20-10-8-9-11-22(20)30-27/h8-13,15,18,21,30H,6-7,14,16-17H2,1-5H3/t18?,21?,29-/m0/s1InChIKey
DOXTXFGXIHPHAT-KGTPQATISA-NSynonyms
956812-83-2(12bS)2(butan2yl)7(3methoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(secbutyl)7(3methoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4butan2yl9(3methoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402185
956812832
CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C(CC)C
InChI=1SC29H35N3O4c16143623131219(1524(23)355)21163225(33)1731(18(3)72)28(34)29(324)2726(21)2010891122(20)3027h81315182130H67141617H215H3t18?21?29m0s1
MFCD06493097
ZINC000012874841
ZINC000012874862
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