Vitas-M small molecule compound
methyl 4-{(12aS)-2-[3-(dimethylamino)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
STL546072
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCCN(C)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 C27H30N4O4 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O4/c1-29(2)13-6-14-30-16-23(32)31-22(26(30)33)15-20-19-7-4-5-8-21(19)28-24(20)25(31)17-9-11-18(12-10-17)27(34)35-3/h4-5,7-12,22,25,28H,6,13-16H2,1-3H3/t22-,25?/m0/s1InChIKey
QYGVZZPWWVRIMW-XADRRFQNSA-NSynonyms
956994-92-616401725
956994926
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCCN(C)C
InChI=1SC27H30N4O4c129(2)13614301623(32)3122(26(30)33)152019745821(19)2824(20)25(31)1791118(121017)27(34)353h45712222528H61316H213H3t2225?m0s1
methyl4((12aS)2(3(dimethylamino)propyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(S))6(3(dimethylamino)propyl)47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD05676193
ZINC000002122742
ZINC000002122744
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