Vitas-M small molecule compound
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate
Catalog ID
STK991177
SMILES CCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CC)cccc3)c1ccc2c(c1)OCCO2
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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 C25H22N4O4 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4/c1-3-21-27-24-23(25-26-16-7-5-6-8-17(16)29(21)25)20(33-22(30)4-2)14-28(24)15-9-10-18-19(13-15)32-12-11-31-18/h5-10,13-14H,3-4,11-12H2,1-2H3InChIKey
JUYLGPBJPJZJTN-UHFFFAOYSA-NSynonyms
861116-61-23(23dihydro14benzodioxin6yl)5ethyl3Hpyrrolo(2345)pyrimido(16a)benzimidazol1ylpropanoate
3(23dihydrobenzo(b)(14)dioxin6yl)5ethyl3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1ylpropionate
861116612
CCC1=NC2=C(C(=CN2C3=CC4=C(C=C3)OCCO4)OC(=O)CC)C5=NC6=CC=CC=C6N15
InChI=1SC25H22N4O4c1321272423(252616756817(16)29(21)25)20(3322(30)42)1428(24)159101819(1315)3212113118h5101314H341112H212H3
MFCD05682936
ZINC000008871231
ZINC08871231
ZINC8871231
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