Vitas-M small molecule compound
methyl 4-{(12aS)-2-[3-(1H-imidazol-1-yl)propyl]-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl}benzoate
Catalog ID
STL547357
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)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 C28H27N5O4 MW 497.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O4/c1-37-28(36)19-9-7-18(8-10-19)26-25-21(20-5-2-3-6-22(20)30-25)15-23-27(35)32(16-24(34)33(23)26)13-4-12-31-14-11-29-17-31/h2-3,5-11,14,17,23,26,30H,4,12-13,15-16H2,1H3/t23-,26?/m0/s1InChIKey
FQTHQXWVNSSZPP-ZZHFZYNASA-NSynonyms
956970-70-016401502
956970700
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCCn1cncc1
InChI=1SC28H27N5O4c13728(36)199718(81019)262521(20523622(20)3025)152327(35)32(1624(34)33(23)26)13412311411291731h235111417232630H412131516H21H3t2326?m0s1
methyl4((12aS)2(3(1Himidazol1yl)propyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(S))6(3imidazol1ylpropyl)47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD05675016
ZINC000008918538
ZINC000008918539
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