Vitas-M small molecule compound
(12bS)-2-[3-(1H-imidazol-1-yl)propyl]-7-(2-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529615
SMILES COc1ccccc1C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCCn1cncc1
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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 C28H29N5O3 MW 483.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O3/c1-28-26-25(20-9-3-5-10-22(20)30-26)21(19-8-4-6-11-23(19)36-2)16-33(28)24(34)17-32(27(28)35)14-7-13-31-15-12-29-18-31/h3-6,8-12,15,18,21,30H,7,13-14,16-17H2,1-2H3/t21?,28-/m0/s1InChIKey
FLINWPMWWVKSBV-QVWGJOIVSA-NSynonyms
956936-43-9(12bS)2(3(1Himidazol1yl)propyl)7(2methoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(3(1Himidazol1yl)propyl)7(2methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(3imidazol1ylpropyl)9(2methoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402950
956936439
COc1ccccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCCn1cncc1
InChI=1SC28H29N5O3c1282625(209351022(20)3026)21(198461123(19)362)1633(28)24(34)1732(27(28)35)14713311512291831h3681215182130H713141617H212H3t21?28m0s1
MFCD06494760
ZINC000008791849
ZINC000008791851
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