Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate
Catalog ID
STK991161
SMILES CC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)C)cccc3)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 C22H16N4O4 MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O4/c1-12-23-21-20(22-24-15-5-3-4-6-16(15)26(12)22)19(30-13(2)27)10-25(21)14-7-8-17-18(9-14)29-11-28-17/h3-10H,11H2,1-2H3InChIKey
CDQRPMKZGFXYTP-UHFFFAOYSA-NSynonyms
850751-13-23(13benzodioxol5yl)5methyl3Hpyrrolo(2345)pyrimido(16a)benzimidazol1ylacetate
3(benzo(d)(13)dioxol5yl)5methyl3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1ylacetate
850751132
CC1=NC2=C(C(=CN2C3=CC4=C(C=C3)OCO4)OC(=O)C)C5=NC6=CC=CC=C6N15
InChI=1SC22H16N4O4c112232120(222415534616(15)26(12)22)19(3013(2)27)1025(21)14781718(914)29112817h310H11H212H3
MFCD05694750
ZINC000101228555
ZINC101228555
ZINC13810783
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