Vitas-M small molecule compound
propan-2-yl (2Z)-2-[(5-bromothiophen-2-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK392899
SMILES CC(OC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C/c1ccc(s1)Br)/s2)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 C22H18BrClN2O3S2 MW 537.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrClN2O3S2/c1-11(2)29-21(28)18-12(3)25-22-26(19(18)13-4-6-14(24)7-5-13)20(27)16(31-22)10-15-8-9-17(23)30-15/h4-11,19H,1-3H3/b16-10-InChIKey
ZEPNCOLCTASRBO-YBEGLDIGSA-NSynonyms
CC(OC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccc(s1)Br)s2)C
CC1=C(C(N2C(=O)C(=CC3=CC=C(S3)Br)SC2=N1)C4=CC=C(C=C4)Cl)C(=O)OC(C)C
InChI=1SC22H18BrClN2O3S2c111(2)2921(28)1812(3)252226(19(18)134614(24)7513)20(27)16(3122)10158917(23)3015h41119H13H3b1610
MFCD11853477
propan2yl(2Z)2((5bromothiophen2yl)methylidene)5(4chlorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROPAN2YL(2Z)2((5BROMOTHIOPHEN2YL)METHYLIDENE)5(4CHLOROPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097964092
ZINC000097964093
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