Vitas-M small molecule compound
2'-hydroxy-12-methyl-1'-pentyl-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
STK585795
SMILES CCCCCN1C(=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 C28H29N5O4 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4/c1-3-4-7-13-33-26(36)28(25(35)30-27(33)37)16-20-23(29-22-17(2)9-8-14-32(22)24(20)34)31-15-12-18-10-5-6-11-19(18)21(28)31/h5-6,8-11,14,21H,3-4,7,12-13,15-16H2,1-2H3,(H,30,35,37)InChIKey
YIEULUCQDNTJBS-UHFFFAOYSA-NSynonyms
879452-78-52hydroxy12methyl1pentyl1516dihydro4H4bH6H7Hspiro(pyrido(1212)pyrimido(5456)pyrido(21a)isoquinoline55pyrimidine)467(1H)trione
879452785
CCCCCN1C(=O)C2(CC3=C(N=C4C(=CC=CN4C3=O)C)N5C2C6=CC=CC=C6CC5)C(=O)NC1=O
InChI=1SC28H29N5O4c1347133326(36)28(25(35)3027(33)37)162023(292217(2)981432(22)24(20)34)3115121810561119(18)21(28)31h568111421H34712131516H212H3(H303537)
MFCD07202099
ZINC000009447436
ZINC000229985806
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