Vitas-M small molecule compound
ethyl (2E)-5-(4-bromophenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL177247
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)/c(=C\c1ccc[nH]1)/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 C21H18BrN3O3S MW 472.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O3S/c1-3-28-20(27)17-12(2)24-21-25(18(17)13-6-8-14(22)9-7-13)19(26)16(29-21)11-15-5-4-10-23-15/h4-11,18,23H,3H2,1-2H3/b16-11+InChIKey
GXGDNIOOSFGNKH-LFIBNONCSA-NSynonyms
832136-80-8832136808
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)c(=Cc1ccc(nH)1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Br)C(=O)C(=CC4=CC=CN4)S2)C
ethyl(2E)5(4bromophenyl)7methyl3oxo2(1Hpyrrol2ylmethylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4bromophenyl)7methyl3oxo2(1Hpyrrol2ylmethylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC21H18BrN3O3Sc132820(27)1712(2)242125(18(17)136814(22)9713)19(26)16(2921)111554102315h4111823H3H212H3b1611+
MFCD04052469
ZINC000020608472
ZINC000020608474
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