Vitas-M small molecule compound
(12aS)-6-(4-ethoxy-3-methoxyphenyl)-2-(2-hydroxy-2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL540894
SMILES CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CC(c1ccccc1)O
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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/c1-3-39-26-14-13-20(15-27(26)38-2)30-29-22(21-11-7-8-12-23(21)32-29)16-24-31(37)33(18-28(36)34(24)30)17-25(35)19-9-5-4-6-10-19/h4-15,24-25,30,32,35H,3,16-18H2,1-2H3/t24-,25?,30?/m0/s1InChIKey
TVWGKFXOPKOATQ-JTYFBONFSA-NSynonyms
956994-88-0(12aS)6(4ethoxy3methoxyphenyl)2(2hydroxy2phenylethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(4ethoxy3methoxyphenyl)2(2hydroxy2phenylethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(4ethoxy3methoxyphenyl)6(2hydroxy2phenylethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401702
956994880
CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CC(c1ccccc1)O
InChI=1SC31H31N3O5c133926141320(1527(26)382)302922(2111781223(21)3229)162431(37)33(1828(36)34(24)30)1725(35)1995461019h4152425303235H31618H212H3t2425?30?m0s1
MFCD05676066
ZINC000002122402
ZINC000002122407
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.