Vitas-M small molecule compound
(12aS)-2-(1,3-benzodioxol-5-ylmethyl)-6-(4-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL538210
SMILES COc1ccc(cc1)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 C29H25N3O5 MW 495.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O5/c1-35-19-9-7-18(8-10-19)28-27-21(20-4-2-3-5-22(20)30-27)13-23-29(34)31(15-26(33)32(23)28)14-17-6-11-24-25(12-17)37-16-36-24/h2-12,23,28,30H,13-16H2,1H3/t23-,28?/m0/s1InChIKey
RTHHDSQMKXLXJX-UHFKCPIBSA-NSynonyms
956928-19-1(12aS)2(13benzodioxol5ylmethyl)6(4methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(benzo(d)(13)dioxol5ylmethyl)6(4methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(13benzodioxol5ylmethyl)2(4methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399003
956928191
COc1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc2c(c1)OCO2
InChI=1SC29H25N3O5c135199718(81019)282721(20423522(20)3027)132329(34)31(1526(33)32(23)28)14176112425(1217)37163624h212232830H1316H21H3t2328?m0s1
MFCD03853351
ZINC000002094786
ZINC000002094787
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