Vitas-M small molecule compound
1'-benzyl-2'-hydroxy-13-methyl-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
STK599269
SMILES OC1=NC(=O)C2(C(=O)N1Cc1ccccc1)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2C
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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/c1-17-9-8-14-31-21(17)28-22-19(23(31)33)15-27(20-12-6-3-7-13-30(20)22)24(34)29-26(36)32(25(27)35)16-18-10-4-2-5-11-18/h2,4-5,8-11,14,20H,3,6-7,12-13,15-16H2,1H3,(H,29,34,36)InChIKey
DOCFZSCSWDVYBE-UHFFFAOYSA-NSynonyms
879471-13-31benzyl2hydroxy13methyl123455ahexahydro4H7H8Hspiro(pyrido(1212)pyrimido(5456)pyrido(12a)azepine65pyrimidine)468(1H)trione
879471133
CC1=CC=CN2C1=NC3=C(C2=O)CC4(C5N3CCCCC5)C(=O)NC(=O)N(C4=O)CC6=CC=CC=C6
InChI=1SC27H27N5O4c11798143121(17)282219(23(31)33)1527(20126371330(20)22)24(34)2926(36)32(25(27)35)1618104251118h2458111420H36712131516H21H3(H293436)
MFCD07207648
ZINC000096298537
ZINC000096833042
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