Vitas-M small molecule compound
ethyl (2E)-5-(4-fluorophenyl)-2-(1H-indol-2-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK763735
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)/c(=C\c1cc3c([nH]1)cccc3)/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 C25H20FN3O3S MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FN3O3S/c1-3-32-24(31)21-14(2)27-25-29(22(21)15-8-10-17(26)11-9-15)23(30)20(33-25)13-18-12-16-6-4-5-7-19(16)28-18/h4-13,22,28H,3H2,1-2H3/b20-13+InChIKey
KGXYOQNKEQSCBN-DEDYPNTBSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)c(=Cc1cc3c((nH)1)cccc3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C(=CC4=CC5=CC=CC=C5N4)S2)C
ethyl(2E)5(4fluorophenyl)2(1Hindol2ylmethylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4FLUOROPHENYL)2(1HINDOL2YLMETHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H20FN3O3Sc133224(31)2114(2)272529(22(21)1581017(26)11915)23(30)20(3325)13181216645719(16)2818h4132228H3H212H3b2013+
MFCD02647468
ZINC000008854797
ZINC000032124958
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