Vitas-M small molecule compound
2'-hydroxy-13-methyl-1'-(4-methylbenzyl)-1,2,3,4,5,5a-hexahydro-4'H,7H,8H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2-a]azepine-6,5'-pyrimidine]-4',6',8(1'H)-trione
Catalog ID
STK598315
SMILES Cc1ccc(cc1)CN1C(=NC(=O)C2(C1=O)Cc1c(N3C2CCCCC3)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/c1-17-9-11-19(12-10-17)16-33-26(36)28(25(35)30-27(33)37)15-20-23(31-13-5-3-4-8-21(28)31)29-22-18(2)7-6-14-32(22)24(20)34/h6-7,9-12,14,21H,3-5,8,13,15-16H2,1-2H3,(H,30,35,37)InChIKey
AAQPCKVZOLQTRL-UHFFFAOYSA-NSynonyms
879447-55-92hydroxy13methyl1(4methylbenzyl)123455ahexahydro4H7H8Hspiro(pyrido(1212)pyrimido(5456)pyrido(12a)azepine65pyrimidine)468(1H)trione
879447559
CC1=CC=C(C=C1)CN2C(=O)C3(CC4=C(N=C5C(=CC=CN5C4=O)C)N6C3CCCCC6)C(=O)NC2=O
InChI=1SC28H29N5O4c11791119(121017)163326(36)28(25(35)3027(33)37)152023(3113534821(28)31)292218(2)761432(22)24(20)34h679121421H358131516H212H3(H303537)
MFCD07201787
ZINC000096833036
ZINC000229984188
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