Vitas-M small molecule compound
ethyl (2Z)-2-[(5-bromothiophen-2-yl)methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK899770
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)ccc1OC)c(=O)/c(=C/c1ccc(s1)Br)/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 C23H21BrN2O5S2 MW 549.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O5S2/c1-5-31-22(28)19-12(2)25-23-26(20(19)15-10-13(29-3)6-8-16(15)30-4)21(27)17(33-23)11-14-7-9-18(24)32-14/h6-11,20H,5H2,1-4H3/b17-11-InChIKey
ZSMYGUNCCSXOIS-BOPFTXTBSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)ccc1OC)c(=O)c(=Cc1ccc(s1)Br)s2
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC(=C3)OC)OC)C(=O)C(=CC4=CC=C(S4)Br)S2)C
ethyl(2Z)2((5bromothiophen2yl)methylidene)5(25dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2((5bromothiophen2yl)methylidene)5(25dimethoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC23H21BrN2O5S2c153122(28)1912(2)252326(20(19)151013(293)6816(15)304)21(27)17(3323)11147918(24)3214h61120H5H214H3b1711
MFCD20731744
ZINC000000685388
ZINC000000685390
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