Vitas-M small molecule compound
(12aS)-2-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethoxy-3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537393
SMILES CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccc2c(c1)OCO2
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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 C31H29N3O6 MW 539.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O6/c1-3-38-24-11-9-19(13-26(24)37-2)30-29-21(20-6-4-5-7-22(20)32-29)14-23-31(36)33(16-28(35)34(23)30)15-18-8-10-25-27(12-18)40-17-39-25/h4-13,23,30,32H,3,14-17H2,1-2H3/t23-,30?/m0/s1InChIKey
VBTLADJLGAMGQI-IHOKFDBFSA-NSynonyms
956620-93-2(12aS)2(13benzodioxol5ylmethyl)6(4ethoxy3methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(benzo(d)(13)dioxol5ylmethyl)6(4ethoxy3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(13benzodioxol5ylmethyl)2(4ethoxy3methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401255
956620932
CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc2c(c1)OCO2
InChI=1SC31H29N3O6c13382411919(1326(24)372)302921(20645722(20)3229)142331(36)33(1628(35)34(23)30)15188102527(1218)40173925h413233032H31417H212H3t2330?m0s1
MFCD05673653
ZINC000002116792
ZINC000002116793
Check stock
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Check stock on Vitas-MAvailable files
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