Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-5-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate
Catalog ID
STK716095
SMILES CC(CC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CC(C)C)cccc3)Cc1ccc2c(c1)OCO2)C
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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 C29H30N4O4 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O4/c1-17(2)11-25-31-28-27(29-30-20-7-5-6-8-21(20)33(25)29)24(37-26(34)12-18(3)4)15-32(28)14-19-9-10-22-23(13-19)36-16-35-22/h5-10,13,15,17-18H,11-12,14,16H2,1-4H3InChIKey
BBXHBGYIGHZRIA-UHFFFAOYSA-NSynonyms
885197-42-23(13benzodioxol5ylmethyl)5(2methylpropyl)3Hpyrrolo(2345)pyrimido(16a)benzimidazol1yl3methylbutanoate
3(benzo(d)(13)dioxol5ylmethyl)5isobutyl3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1yl3methylbutanoate
885197422
CC(C)CC1=NC2=C(C(=CN2CC3=CC4=C(C=C3)OCO4)OC(=O)CC(C)C)C5=NC6=CC=CC=C6N15
InChI=1SC29H30N4O4c117(2)1125312827(293020756821(20)33(25)29)24(3726(34)1218(3)4)1532(28)14199102223(1319)36163522h51013151718H11121416H214H3
MFCD06606041
ZINC000009124142
ZINC09124142
ZINC9124142
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