Vitas-M small molecule compound
5-butyl-3-(4-methylbenzyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl pentanoate
Catalog ID
STK716089
SMILES CCCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCCC)cccc3)Cc1ccc(cc1)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 C29H32N4O2 MW 468.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O2/c1-4-6-12-25-31-28-27(29-30-22-10-8-9-11-23(22)33(25)29)24(35-26(34)13-7-5-2)19-32(28)18-21-16-14-20(3)15-17-21/h8-11,14-17,19H,4-7,12-13,18H2,1-3H3InChIKey
ULFWFCYGLFHSRI-UHFFFAOYSA-NSynonyms
885197-03-55butyl3(4methylbenzyl)3Hbenzo(45)imidazo(12c)pyrrolo(32e)pyrimidin1ylpentanoate
5butyl3(4methylbenzyl)3Hpyrrolo(2345)pyrimido(16a)benzimidazol1ylpentanoate
885197035
CCCCC1=NC2=C(C(=CN2CC3=CC=C(C=C3)C)OC(=O)CCCC)C4=NC5=CC=CC=C5N14
InChI=1SC29H32N4O2c1461225312827(29302210891123(22)33(25)29)24(3526(34)13752)1932(28)1821161420(3)151721h811141719H47121318H213H3
MFCD06591840
ZINC000009293068
ZINC09293068
ZINC9293068
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