Vitas-M small molecule compound
(12bS)-2-benzyl-7-(3-ethoxy-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
STL528987
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1ccccc1
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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 C33H35N3O4 MW 537.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O4/c1-4-17-40-27-16-15-23(18-28(27)39-5-2)25-20-36-29(37)21-35(19-22-11-7-6-8-12-22)32(38)33(36,3)31-30(25)24-13-9-10-14-26(24)34-31/h6-16,18,25,34H,4-5,17,19-21H2,1-3H3/t25?,33-/m0/s1InChIKey
QIEAUTJVVMINDV-ZEWJHAJUSA-NSynonyms
957043-88-8(12bS)2benzyl7(3ethoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2benzyl7(3ethoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4benzyl9(3ethoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402777
957043888
CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1ccccc1
InChI=1SC33H35N3O4c14174027161523(1828(27)3952)25203629(37)2135(1922117681222)32(38)33(363)3130(25)24139101426(24)3431h616182534H45171921H213H3t25?33m0s1
MFCD06494377
ZINC000070696921
ZINC000070696923
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