Vitas-M small molecule compound

7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL336802
SMILES OCCN(c1nc2c(n1CCSc1nc3c(s1)cccc3)c(=O)[nH]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 C18H20N6O3S2 MW 432.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O3S2/c1-22(7-9-25)16-20-14-13(15(26)21-17(27)23(14)2)24(16)8-10-28-18-19-11-5-3-4-6-12(11)29-18/h3-6,25H,7-10H2,1-2H3,(H,21,26,27)
InChIKey
NEFLQCQYUUBRJM-UHFFFAOYSA-N
Synonyms
476482-73-2
476482732
7(2(13benzothiazol2ylsulfanyl)ethyl)8((2hydroxyethyl)(methyl)amino)3methyl37dihydro1Hpurine26dione
7(2(13BENZOTHIAZOL2YLSULFANYL)ETHYL)8(2HYDROXYETHYL(METHYL)AMINO)3METHYLPURINE26DIONE
7(2(BENZO(D)THIAZOL2YLTHIO)ETHYL)8((2HYDROXYETHYL)(METHYL)AMINO)3METHYL1HPURINE26(3H7H)DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CCO)CCSC3=NC4=CC=CC=C4S3
InChI=1SC18H20N6O3S2c122(7925)16201413(15(26)2117(27)23(14)2)24(16)81028181911534612(11)2918h3625H710H212H3(H212627)
MFCD03669043
OCCN(c1nc2c(n1CCSc1nc3c(s1)cccc3)c(=O)(nH)c(=O)n2C)C
ZINC000008973054
ZINC08973054
ZINC8973054

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Available files

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