Vitas-M small molecule compound

1,3-dimethyl-8-[(3-oxobutan-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK838123
SMILES C=CCn1c(SC(C(=O)C)C)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 C14H18N4O3S MW 322.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N4O3S/c1-6-7-18-10-11(15-13(18)22-9(3)8(2)19)16(4)14(21)17(5)12(10)20/h6,9H,1,7H2,2-5H3
InChIKey
HACOJIFSYNGKOG-UHFFFAOYSA-N
Synonyms

13dimethyl8((3oxobutan2yl)sulfanyl)7(prop2en1yl)37dihydro1Hpurine26dione
13DIMETHYL8(1METHYL2OXOPROPYLTHIO)7PROP2ENYL137TRIHYDROPURINE26DIONE
13DIMETHYL8(3OXOBUTAN2YLSULFANYL)7PROP2ENYLPURINE26DIONE
7allyl13dimethyl8((3oxobutan2yl)thio)1Hpurine26(3H7H)dione
CC(C(=O)C)SC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C
InChI=1SC14H18N4O3Sc167181011(1513(18)229(3)8(2)19)16(4)14(21)17(5)12(10)20h69H17H225H3
MFCD02227449
ZINC000000287501
ZINC000000287505

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Available files

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