Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-(8-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)prop-2-en-1-one
Catalog ID
STL465660
SMILES COc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)/C=C/c1ccc2c(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 C22H20N2O4 MW 376.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4/c1-26-15-4-5-18-16(11-15)17-12-24(9-8-19(17)23-18)22(25)7-3-14-2-6-20-21(10-14)28-13-27-20/h2-7,10-11,23H,8-9,12-13H2,1H3/b7-3+InChIKey
PPCJBNSBGPQCAP-XVNBXDOJSA-NSynonyms
1021042-67-0(2E)3(13benzodioxol5yl)1(8methoxy1345tetrahydro2Hpyrido(43b)indol2yl)prop2en1one
(E)3(13benzodioxol5yl)1(8methoxy1345tetrahydropyrido(43b)indol2yl)prop2en1one
(E)3(benzo(d)(13)dioxol5yl)1(8methoxy34dihydro1Hpyrido(43b)indol2(5H)yl)prop2en1one
1021042670
COC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C=CC4=CC5=C(C=C4)OCO5
COc1ccc2c(c1)c1CN(CCc1(nH)2)C(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC22H20N2O4c12615451816(1115)171224(9819(17)2318)22(25)7314262021(1014)28132720h27101123H891213H21H3b73+
MFCD12029124
ZINC000012296794
ZINC12296794
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