Vitas-M small molecule compound
6-acetyl-2-[3-bromo-4-(dimethylamino)benzylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Catalog ID
STK330215
SMILES COc1ccc2c(c1C1C(=C(C)N=c3n1c(=O)/c(=C/c1ccc(c(c1)Br)N(C)C)/s3)C(=O)C)cccc2
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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 C29H26BrN3O3S MW 576.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26BrN3O3S/c1-16-25(17(2)34)27(26-20-9-7-6-8-19(20)11-13-23(26)36-5)33-28(35)24(37-29(33)31-16)15-18-10-12-22(32(3)4)21(30)14-18/h6-15,27H,1-5H3/b24-15+InChIKey
AKLRIKBIZJTZMF-BUVRLJJBSA-NSynonyms
(2E)6acetyl2((3bromo4(dimethylamino)phenyl)methylidene)5(2methoxynaphthalen1yl)7methyl5H(13)thiazolo(32a)pyrimidin3one
6acetyl2(3bromo4(dimethylamino)benzylidene)5(2methoxynaphthalen1yl)7methyl5H(13)thiazolo(32a)pyrimidin3(2H)one
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)N(C)C)Br)SC2=N1)C4=C(C=CC5=CC=CC=C54)OC)C(=O)C
COc1ccc2c(c1C1C(=C(C)N=c3n1c(=O)c(=Cc1ccc(c(c1)Br)N(C)C)s3)C(=O)C)cccc2
InChI=1SC29H26BrN3O3Sc11625(17(2)34)27(2620976819(20)111323(26)365)3328(35)24(3729(33)3116)1518101222(32(3)4)21(30)1418h61527H15H3b2415+
MFCD01787251
ZINC000245324848
ZINC000245324849
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