Vitas-M small molecule compound

7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK078959
SMILES Clc1cc2OCOc2cc1Cn1c(S)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 C15H13ClN4O4S MW 380.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13ClN4O4S/c1-18-12-11(13(21)19(2)15(18)22)20(14(25)17-12)5-7-3-9-10(4-8(7)16)24-6-23-9/h3-4H,5-6H2,1-2H3,(H,17,25)
InChIKey
MUBWELNOIYCPAR-UHFFFAOYSA-N
Synonyms

7((6CHLORO(2HBENZO(D)13DIOXOLEN5YL))METHYL)13DIMETHYL8SULFANYL137TRIHYDROPURINE26DIONE
7((6CHLORO13BENZODIOXOL5YL)METHYL)13DIMETHYL8SULFANYL37DIHYDRO1HPURINE26DIONE
7((6CHLORO13BENZODIOXOL5YL)METHYL)13DIMETHYL8SULFANYLIDENE9HPURINE26DIONE
Clc1cc2OCOc2cc1Cn1c(S)nc2c1c(=O)n(C)c(=O)n2C
CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC3=CC4=C(C=C3Cl)OCO4
InChI=1SC15H13ClN4O4Sc1181211(13(21)19(2)15(18)22)20(14(25)1712)573910(48(7)16)246239h34H56H212H3(H1725)
MFCD02060596
STK078959
ZINC000100708193
ZINC100708193

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Available files

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