Vitas-M small molecule compound
(12aS)-2-cyclopentyl-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
STL536671
SMILES COc1cc(ccc1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCCC1
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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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c1-33-22-12-11-16(13-23(22)34-2)26-25-19(18-9-5-6-10-20(18)28-25)14-21-27(32)29(15-24(31)30(21)26)17-7-3-4-8-17/h5-6,9-13,17,21,26,28H,3-4,7-8,14-15H2,1-2H3/t21-,26?/m0/s1InChIKey
MHLCIBFFQKLXFU-GVNKFJBHSA-NSynonyms
956974-32-6(12aS)2cyclopentyl6(34dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclopentyl6(34dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclopentyl2(34dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399505
956974326
COc1cc(ccc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCC1
InChI=1SC27H29N3O4c13322121116(1323(22)342)262519(189561020(18)2825)142127(32)29(1524(31)30(21)26)17734817h5691317212628H34781415H212H3t2126?m0s1
MFCD04144076
ZINC000002100746
ZINC000002100748
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