Vitas-M small molecule compound
(12aS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536811
SMILES COc1cccc(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCc1ccc(c(c1)OC)OC
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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 C31H31N3O5 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O5/c1-37-21-8-6-7-20(16-21)30-29-23(22-9-4-5-10-24(22)32-29)17-25-31(36)33(18-28(35)34(25)30)14-13-19-11-12-26(38-2)27(15-19)39-3/h4-12,15-16,25,30,32H,13-14,17-18H2,1-3H3/t25-,30?/m0/s1InChIKey
VAGJJGXJKDBJII-SUHMBNCMSA-NSynonyms
957046-63-8(12aS)2(2(34dimethoxyphenyl)ethyl)6(3methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(34dimethoxyphenethyl)6(3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(2(34dimethoxyphenyl)ethyl)2(3methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399600
957046638
COc1cccc(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCc1ccc(c(c1)OC)OC
InChI=1SC31H31N3O5c1372186720(1621)302923(229451024(22)3229)172531(36)33(1828(35)34(25)30)141319111226(382)27(1519)393h4121516253032H13141718H213H3t2530?m0s1
MFCD04144579
ZINC000002101740
ZINC000002101743
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.