Vitas-M small molecule compound
8-(1,3-benzothiazol-2-ylsulfanyl)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL342881
SMILES Clc1ccccc1Cn1c(Sc2nc3c(s2)cccc3)nc2c1c(=O)n(c(=O)n2C)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 C21H16ClN5O2S2 MW 469.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN5O2S2/c1-25-17-16(18(28)26(2)21(25)29)27(11-12-7-3-4-8-13(12)22)19(24-17)31-20-23-14-9-5-6-10-15(14)30-20/h3-10H,11H2,1-2H3InChIKey
SCALBGKJZWKRTQ-UHFFFAOYSA-NSynonyms
844659-22-98(13BENZOTHIAZOL2YLSULFANYL)7((2CHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8(13benzothiazol2ylsulfanyl)7(2chlorobenzyl)13dimethyl37dihydro1Hpurine26dione
8(benzo(d)thiazol2ylthio)7(2chlorobenzyl)13dimethyl1Hpurine26(3H7H)dione
844659229
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5Cl
InChI=1SC21H16ClN5O2S2c1251716(18(28)26(2)21(25)29)27(1112734813(12)22)19(2417)312023149561015(14)3020h310H11H212H3
MFCD04159659
ZINC000009001561
ZINC09001561
ZINC9001561
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