Vitas-M small molecule compound
1'-butyl-2'-hydroxy-12-methyl-15,16-dihydro-4'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(1'H)-trione
Catalog ID
STK574676
SMILES CCCCN1C(=NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2C)O
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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 C27H27N5O4 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4/c1-3-4-12-32-25(35)27(24(34)29-26(32)36)15-19-22(28-21-16(2)8-7-13-31(21)23(19)33)30-14-11-17-9-5-6-10-18(17)20(27)30/h5-10,13,20H,3-4,11-12,14-15H2,1-2H3,(H,29,34,36)InChIKey
GWQIMPQCXCGNOU-UHFFFAOYSA-NSynonyms
896074-98-91butyl2hydroxy12methyl1516dihydro4H4bH6H7Hspiro(pyrido(1212)pyrimido(5456)pyrido(21a)isoquinoline55pyrimidine)467(1H)trione
896074989
CCCCN1C(=O)C2(CC3=C(N=C4C(=CC=CN4C3=O)C)N5C2C6=CC=CC=C6CC5)C(=O)NC1=O
InChI=1SC27H27N5O4c134123225(35)27(24(34)2926(32)36)151922(282116(2)871331(21)23(19)33)301411179561018(17)20(27)30h5101320H3411121415H212H3(H293436)
MFCD07197565
ZINC000002437836
ZINC000229959390
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