Vitas-M small molecule compound
ethyl (2Z)-5-(4-bromophenyl)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL412257
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)/c(=C/c1ccco1)/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 C21H17BrN2O4S MW 473.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O4S/c1-3-27-20(26)17-12(2)23-21-24(18(17)13-6-8-14(22)9-7-13)19(25)16(29-21)11-15-5-4-10-28-15/h4-11,18H,3H2,1-2H3/b16-11-InChIKey
MITINYFEPBBQRZ-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)c(=Cc1ccco1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Br)C(=O)C(=CC4=CC=CO4)S2)C
ethyl(2Z)5(4bromophenyl)2(furan2ylmethylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4BROMOPHENYL)2(FURAN2YLMETHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC21H17BrN2O4Sc132720(26)1712(2)232124(18(17)136814(22)9713)19(25)16(2921)111554102815h41118H3H212H3b1611
MFCD04083579
ZINC000022709069
ZINC000022709074
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