Vitas-M small molecule compound
3-(3-hydroxypropyl)-7,8-dimethyl-1-(4-phenoxyphenyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Catalog ID
STK978690
SMILES OCCCN1CN(c2ccc(cc2)Oc2ccccc2)c2n(C1)c(=O)c(c(n2)C)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 C23H26N4O3 MW 406.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O3/c1-17-18(2)24-23-26(15-25(13-6-14-28)16-27(23)22(17)29)19-9-11-21(12-10-19)30-20-7-4-3-5-8-20/h3-5,7-12,28H,6,13-16H2,1-2H3InChIKey
NQSMDXJVICJUKC-UHFFFAOYSA-NSynonyms
1158454-58-01158454580
3(3hydroxypropyl)78dimethyl1(4phenoxyphenyl)1234tetrahydro6Hpyrimido(12a)(135)triazin6one
3(3hydroxypropyl)78dimethyl1(4phenoxyphenyl)24dihydropyrimido(12a)(135)triazin6one
3(3hydroxypropyl)78dimethyl1(4phenoxyphenyl)34dihydro1Hpyrimido(12a)(135)triazin6(2H)one
CC1=C(N=C2N(CN(CN2C1=O)CCCO)C3=CC=C(C=C3)OC4=CC=CC=C4)C
InChI=1SC23H26N4O3c11718(2)242326(1525(1361428)1627(23)22(17)29)1991121(121019)30207435820h3571228H61316H212H3
MFCD13873381
ZINC000095481432
ZINC95481432
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