Vitas-M small molecule compound
ethyl (2Z)-2-{5-bromo-2-[(2-cyanobenzyl)oxy]benzylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK054069
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C/c1cc(Br)ccc1OCc1ccccc1C#N)/s2
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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 C32H26BrN3O4S2 MW 660.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26BrN3O4S2/c1-4-39-31(38)28-19(2)35-32-36(29(28)20-9-12-25(41-3)13-10-20)30(37)27(42-32)16-23-15-24(33)11-14-26(23)40-18-22-8-6-5-7-21(22)17-34/h5-16,29H,4,18H2,1-3H3/b27-16-InChIKey
LSZYMZROZHRAGU-YUMHPJSZSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)c(=Cc1cc(Br)ccc1OCc1ccccc1C#N)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)C(=CC4=C(C=CC(=C4)Br)OCC5=CC=CC=C5C#N)S2)C
ETHYL(2Z)2((5BROMO2((2CYANOPHENYL)METHOXY)PHENYL)METHYLIDENE)7METHYL5(4METHYLSULFANYLPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(5BROMO2((2CYANOBENZYL)OXY)BENZYLIDENE)7METHYL5(4(METHYLSULFANYL)PHENYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC32H26BrN3O4S2c143931(38)2819(2)353236(29(28)2091225(413)131020)30(37)27(4232)16231524(33)111426(23)401822865721(22)1734h51629H418H213H3b2716
MFCD08051240
STK054069
ZINC000097958716
ZINC000097958717
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