Vitas-M small molecule compound
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(cyclohex-1-en-1-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Catalog ID
STK534442
SMILES O=C(c1c(N)n(c2c1nc1ccccc1n2)CCC1=CCCCC1)NCc1ccc2c(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 C27H27N5O3 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3/c28-25-23(27(33)29-15-18-10-11-21-22(14-18)35-16-34-21)24-26(31-20-9-5-4-8-19(20)30-24)32(25)13-12-17-6-2-1-3-7-17/h4-6,8-11,14H,1-3,7,12-13,15-16,28H2,(H,29,33)InChIKey
YGCNKMHQMXXFAO-UHFFFAOYSA-NSynonyms
2aminoN(13benzodioxol5ylmethyl)1(2(cyclohex1en1yl)ethyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2AMINON(13BENZODIOXOL5YLMETHYL)1(2(CYCLOHEXEN1YL)ETHYL)PYRROLO(32B)QUINOXALINE3CARBOXAMIDE
2aminoN(benzo(d)(13)dioxol5ylmethyl)1(2(cyclohex1en1yl)ethyl)1Hpyrrolo(23b)quinoxaline3carboxamide
C1CCC(=CC1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC6=C(C=C5)OCO6)N
InChI=1SC27H27N5O3c282523(27(33)29151810112122(1418)35163421)2426(3120954819(20)3024)32(25)1312176213717h4681114H1371213151628H2(H2933)
MFCD02162700
ZINC000002290759
ZINC02290759
ZINC2290759
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