Vitas-M small molecule compound
(2E)-5-(4-fluorophenyl)-7-methyl-2-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Catalog ID
STL444744
SMILES CN1CCN(CC1)c1ccc(o1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)F)C(=O)Nc1ccccc1)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 C30H28FN5O3S MW 557.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28FN5O3S/c1-19-26(28(37)33-22-6-4-3-5-7-22)27(20-8-10-21(31)11-9-20)36-29(38)24(40-30(36)32-19)18-23-12-13-25(39-23)35-16-14-34(2)15-17-35/h3-13,18,27H,14-17H2,1-2H3,(H,33,37)/b24-18+InChIKey
YTVYRTFEBGVTGM-HKOYGPOVSA-NSynonyms
(2E)5(4fluorophenyl)7methyl2((5(4methylpiperazin1yl)furan2yl)methylidene)3oxoNphenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxamide
(2E)5(4fluorophenyl)7methyl2((5(4methylpiperazin1yl)furan2yl)methylidene)3oxoNphenyl5H(13)thiazolo(32a)pyrimidine6carboxamide
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)N4CCN(CC4)C)SC2=N1)C5=CC=C(C=C5)F)C(=O)NC6=CC=CC=C6
CN1CCN(CC1)c1ccc(o1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)F)C(=O)Nc1ccccc1)C
InChI=1SC30H28FN5O3Sc11926(28(37)33226435722)27(2081021(31)11920)3629(38)24(4030(36)3219)1823121325(3923)35161434(2)151735h3131827H1417H212H3(H3337)b2418+
MFCD03271444
ZINC000008767170
ZINC000101381496
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