Vitas-M small molecule compound

5-(4-tert-butylphenyl)-3-(2-phenylethyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-tert-butylbenzoate

Catalog ID
STL057041
SMILES O=C(c1ccc(cc1)C(C)(C)C)Oc1cn(c2c1c1nc3c(n1c(n2)c1ccc(cc1)C(C)(C)C)cccc3)CCc1ccccc1

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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 C41H40N4O2 MW 620.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H40N4O2/c1-40(2,3)30-20-16-28(17-21-30)36-43-37-35(38-42-32-14-10-11-15-33(32)45(36)38)34(26-44(37)25-24-27-12-8-7-9-13-27)47-39(46)29-18-22-31(23-19-29)41(4,5)6/h7-23,26H,24-25H2,1-6H3
InChIKey
WAAXITNYWRRNTE-UHFFFAOYSA-N
Synonyms

5(4(tertbutyl)phenyl)3phenethyl3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1yl4(tertbutyl)benzoate
5(4tertbutylphenyl)3(2phenylethyl)3Hpyrrolo(2345)pyrimido(16a)benzimidazol1yl4tertbutylbenzoate
CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C(=CN3CCC4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)C(C)(C)C)C6=NC7=CC=CC=C7N26
InChI=1SC41H40N4O2c140(23)30201628(172130)36433735(3842321410111533(32)45(36)38)34(2644(37)252427128791327)4739(46)29182231(231929)41(45)6h72326H2425H216H3
MFCD05732836
ZINC000102896696
ZINC102896696

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Available files

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