Vitas-M small molecule compound
(12bS)-2-[3-(1H-imidazol-1-yl)propyl]-9-methoxy-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL548634
SMILES COc1ccc2c(c1)c1CCN3[C@](c1[nH]2)(C)C(=O)N(CC3=O)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 C22H25N5O3 MW 407.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O3/c1-22-20-16(17-12-15(30-2)4-5-18(17)24-20)6-10-27(22)19(28)13-26(21(22)29)9-3-8-25-11-7-23-14-25/h4-5,7,11-12,14,24H,3,6,8-10,13H2,1-2H3/t22-/m0/s1InChIKey
MTOVOEDMRVQRPH-QFIPXVFZSA-NSynonyms
956567-75-2(12bS)2(3(1Himidazol1yl)propyl)9methoxy12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(2~(S))4(3imidazol1ylpropyl)13methoxy2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)11(16)1214tetraene36dione
(S)2(3(1Himidazol1yl)propyl)9methoxy12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
7068381
956567752
COc1ccc2c(c1)c1CCN3(C@)(c1(nH)2)(C)C(=O)N(CC3=O)CCCn1cncc1
InChI=1SC22H25N5O3c1222016(171215(302)4518(17)2420)61027(22)19(28)1326(21(22)29)93825117231425h45711121424H3681013H212H3t22m0s1
MFCD05670785
ZINC000003985037
ZINC3985037
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