Vitas-M small molecule compound
(12aS)-2-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537206
SMILES Cc1cccc(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccc2c(c1)OCO2
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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 C29H25N3O4 MW 479.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O4/c1-17-5-4-6-19(11-17)28-27-21(20-7-2-3-8-22(20)30-27)13-23-29(34)31(15-26(33)32(23)28)14-18-9-10-24-25(12-18)36-16-35-24/h2-12,23,28,30H,13-16H2,1H3/t23-,28?/m0/s1InChIKey
GAUSCMGYPNKQQV-UHFKCPIBSA-NSynonyms
956961-15-2(12aS)2(13benzodioxol5ylmethyl)6(3methylphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(benzo(d)(13)dioxol5ylmethyl)6(mtolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(13benzodioxol5ylmethyl)2(3methylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399980
956961152
Cc1cccc(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc2c(c1)OCO2
InChI=1SC29H25N3O4c11754619(1117)282721(20723822(20)3027)132329(34)31(1526(33)32(23)28)14189102425(1218)36163524h212232830H1316H21H3t2328?m0s1
MFCD04146880
ZINC000002107809
ZINC000002107810
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