Vitas-M small molecule compound
ethyl (2E)-2-{[4-bromo-5-(pyrimidin-2-ylsulfanyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK111027
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1cc(c(o1)Sc1ncccn1)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 C23H17BrN4O4S3 MW 589.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN4O4S3/c1-3-31-20(30)17-12(2)27-23-28(18(17)15-6-4-9-33-15)19(29)16(34-23)11-13-10-14(24)21(32-13)35-22-25-7-5-8-26-22/h4-11,18H,3H2,1-2H3/b16-11+InChIKey
QIRFOGXVPYYXLH-LFIBNONCSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1cc(c(o1)Sc1ncccn1)Br)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC(=C(O4)SC5=NC=CC=N5)Br)S2)C
ETHYL(2E)2((4BROMO5(PYRIMIDIN2YLSULFANYL)FURAN2YL)METHYLIDENE)7METHYL3OXO5(THIOPHEN2YL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2((4bromo5pyrimidin2ylsulfanylfuran2yl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2((4BROMO5(2PYRIMIDINYLSULFANYL)2FURYL)METHYLENE)7METHYL3OXO5(2THIENYL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC23H17BrN4O4S3c133120(30)1712(2)272328(18(17)156493315)19(29)16(3423)11131014(24)21(3213)3522257582622h41118H3H212H3b1611+
MFCD03862028
ZINC000008396670
ZINC000008396672
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