Vitas-M small molecule compound
11-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL329617
SMILES O=c1n(CCc2ccccc2)cnc2c1c1nc3ccccc3nc1n2Cc1ccc2c(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 C28H21N5O3 MW 475.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O3/c34-28-24-25-27(31-21-9-5-4-8-20(21)30-25)33(15-19-10-11-22-23(14-19)36-17-35-22)26(24)29-16-32(28)13-12-18-6-2-1-3-7-18/h1-11,14,16H,12-13,15,17H2InChIKey
IORUQRCUFBQGSX-UHFFFAOYSA-NSynonyms
11(13benzodioxol5ylmethyl)3(2phenylethyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(benzo(d)(13)dioxol5ylmethyl)3phenethyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
C1OC2=C(O1)C=C(C=C2)CN3C4=C(C5=NC6=CC=CC=C6N=C53)C(=O)N(C=N4)CCC7=CC=CC=C7
InChI=1SC28H21N5O3c3428242527(3121954820(21)3025)33(151910112223(1419)36173522)26(24)291632(28)1312186213718h1111416H12131517H2
MFCD02985821
ZINC000002252290
ZINC02252290
ZINC2252290
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