Vitas-M small molecule compound
(12aS)-6-(4-methoxyphenyl)-2-(2-methylpropyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL540043
SMILES COc1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CC(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 C25H27N3O3 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3/c1-15(2)13-27-14-22(29)28-21(25(27)30)12-19-18-6-4-5-7-20(18)26-23(19)24(28)16-8-10-17(31-3)11-9-16/h4-11,15,21,24,26H,12-14H2,1-3H3/t21-,24?/m0/s1InChIKey
QQEXNVZJBRPZLC-XEGCMXMBSA-NSynonyms
956913-42-1(12aS)2isobutyl6(4methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(4methoxyphenyl)2(2methylpropyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(4methoxyphenyl)6(2methylpropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16398940
956913421
COc1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CC(C)C
InChI=1SC25H27N3O3c115(2)13271422(29)2821(25(27)30)121918645720(18)2623(19)24(28)1681017(313)11916h41115212426H1214H213H3t2124?m0s1
MFCD03852953
ZINC000002094111
ZINC000002094112
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