Vitas-M small molecule compound
(12aS)-2-(butan-2-yl)-6-(3,4-dimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL540597
SMILES CCC(N1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(c(c2)OC)OC)[nH]c2c1cccc2)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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-5-15(2)28-14-23(30)29-20(26(28)31)13-18-17-8-6-7-9-19(17)27-24(18)25(29)16-10-11-21(32-3)22(12-16)33-4/h6-12,15,20,25,27H,5,13-14H2,1-4H3/t15?,20-,25?/m0/s1InChIKey
TWOWLNZKJAGDBM-RSASLARPSA-NSynonyms
956146-33-1(12aS)2(butan2yl)6(34dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(secbutyl)6(34dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6butan2yl2(34dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399409
956146331
CCC(N1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(c(c2)OC)OC)(nH)c2c1cccc2)C
InChI=1SC26H29N3O4c1515(2)281423(30)2920(26(28)31)131817867919(17)2724(18)25(29)16101121(323)22(1216)334h61215202527H51314H214H3t15?2025?m0s1
MFCD04143508
ZINC000002154329
ZINC000002154336
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