Vitas-M small molecule compound
(12aS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537719
SMILES COc1ccc(cc1OC)CCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)C)[nH]c2c1cccc2
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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 C31H31N3O4 MW 509.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O4/c1-19-7-6-8-21(15-19)30-29-23(22-9-4-5-10-24(22)32-29)17-25-31(36)33(18-28(35)34(25)30)14-13-20-11-12-26(37-2)27(16-20)38-3/h4-12,15-16,25,30,32H,13-14,17-18H2,1-3H3/t25-,30?/m0/s1InChIKey
OTLUFWFSXXLQIY-SUHMBNCMSA-NSynonyms
956944-39-1(12aS)2(2(34dimethoxyphenyl)ethyl)6(3methylphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(34dimethoxyphenethyl)6(mtolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(2(34dimethoxyphenyl)ethyl)2(3methylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399446
956944391
COc1ccc(cc1OC)CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)C)(nH)c2c1cccc2
InChI=1SC31H31N3O4c11976821(1519)302923(229451024(22)3229)172531(36)33(1828(35)34(25)30)141320111226(372)27(1620)383h4121516253032H13141718H213H3t2530?m0s1
MFCD04143750
ZINC000002155290
ZINC000002155292
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