Vitas-M small molecule compound

5-(4-methylphenyl)-3-(2-methylpropyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate

Catalog ID
STK991107
SMILES Cc1ccc(cc1)C(=O)Oc1cn(c2c1c1nc3c(n1c(n2)c1ccc(cc1)C)cccc3)CC(C)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 C31H28N4O2 MW 488.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O2/c1-19(2)17-34-18-26(37-31(36)23-15-11-21(4)12-16-23)27-29(34)33-28(22-13-9-20(3)10-14-22)35-25-8-6-5-7-24(25)32-30(27)35/h5-16,18-19H,17H2,1-4H3
InChIKey
XQGAEFGXZMLRCF-UHFFFAOYSA-N
Synonyms
862116-12-9
3isobutyl5(ptolyl)3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1yl4methylbenzoate
5(4methylphenyl)3(2methylpropyl)3Hpyrrolo(2345)pyrimido(16a)benzimidazol1yl4methylbenzoate
862116129
CC1=CC=C(C=C1)C2=NC3=C(C(=CN3CC(C)C)OC(=O)C4=CC=C(C=C4)C)C5=NC6=CC=CC=C6N25
InChI=1SC31H28N4O2c119(2)17341826(3731(36)23151121(4)121623)2729(34)3328(2213920(3)101422)3525865724(25)3230(27)35h5161819H17H214H3
MFCD05687024
ZINC000008871198
ZINC08871198
ZINC8871198

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Available files

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