Vitas-M small molecule compound
(12aS)-2-(3,4-dimethoxybenzyl)-6-(4-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536683
SMILES COc1cc(ccc1OC)CN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)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 C30H29N3O4 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O4/c1-18-8-11-20(12-9-18)29-28-22(21-6-4-5-7-23(21)31-28)15-24-30(35)32(17-27(34)33(24)29)16-19-10-13-25(36-2)26(14-19)37-3/h4-14,24,29,31H,15-17H2,1-3H3/t24-,29?/m0/s1InChIKey
PXHPZGSWLMINKB-CTLOQAHHSA-NSynonyms
956938-94-6(12aS)2(34dimethoxybenzyl)6(4methylphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(34dimethoxybenzyl)6(ptolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6((34dimethoxyphenyl)methyl)2(4methylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399292
956938946
COc1cc(ccc1OC)CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C)(nH)c2c1cccc2
InChI=1SC30H29N3O4c11881120(12918)292822(21645723(21)3128)152430(35)32(1727(34)33(24)29)1619101325(362)26(1419)373h414242931H1517H213H3t2429?m0s1
MFCD04142769
ZINC000002153740
ZINC000002153744
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