Vitas-M small molecule compound

4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-(4-fluorophenyl)piperazine-1-carbothioamide

Catalog ID
STK262616
SMILES Fc1ccc(cc1)NC(=S)N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)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 C18H20FN7O2S MW 417.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20FN7O2S/c1-23-14-13(15(27)24(2)18(23)28)21-16(22-14)25-7-9-26(10-8-25)17(29)20-12-5-3-11(19)4-6-12/h3-6H,7-10H2,1-2H3,(H,20,29)(H,21,22)
InChIKey
BHJAQNLDHFWGKM-UHFFFAOYSA-N
Synonyms

4(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)N(4fluorophenyl)piperazine1carbothioamide
4(13dimethyl26dioxo7Hpurin8yl)N(4fluorophenyl)piperazine1carbothioamide
8(4(((4FLUOROPHENYL)AMINO)THIOXOMETHYL)PIPERAZINYL)13DIMETHYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)F
Fc1ccc(cc1)NC(=S)N1CCN(CC1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C
InChI=1SC18H20FN7O2Sc1231413(15(27)24(2)18(23)28)2116(2214)257926(10825)17(29)20125311(19)4612h36H710H212H3(H2029)(H2122)
MFCD07037326
ZINC000004818391
ZINC04818391
ZINC4818391

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Available files

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