Vitas-M small molecule compound

8-[(2-aminophenyl)sulfanyl]-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK804402
SMILES Fc1ccc(cc1)Cn1c(Sc2ccccc2N)nc2c1c(=O)n(C)c(=O)n2C

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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 C20H18FN5O2S MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN5O2S/c1-24-17-16(18(27)25(2)20(24)28)26(11-12-7-9-13(21)10-8-12)19(23-17)29-15-6-4-3-5-14(15)22/h3-10H,11,22H2,1-2H3
InChIKey
OAVCNURLWMWPQF-UHFFFAOYSA-N
Synonyms
847846-20-2
8((2aminophenyl)sulfanyl)7(4fluorobenzyl)13dimethyl37dihydro1Hpurine26dione
8((2aminophenyl)thio)7(4fluorobenzyl)13dimethyl1Hpurine26(3H7H)dione
8(2AMINOPHENYL)SULFANYL7((4FLUOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
847846202
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3N)CC4=CC=C(C=C4)F
InChI=1SC20H18FN5O2Sc1241716(18(27)25(2)20(24)28)26(11127913(21)10812)19(2317)2915643514(15)22h310H1122H212H3
MFCD06593176
ZINC000002441693
ZINC02441693
ZINC2441693

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Available files

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