Vitas-M small molecule compound

8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK834652
SMILES ClCC(CSc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C)O

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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 C14H21ClN4O3S MW 360.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21ClN4O3S/c1-8(2)4-5-19-10-11(18(3)13(22)17-12(10)21)16-14(19)23-7-9(20)6-15/h8-9,20H,4-7H2,1-3H3,(H,17,21,22)
InChIKey
AKZATDOAHHMODN-UHFFFAOYSA-N
Synonyms
332408-86-3
332408863
8((3chloro2hydroxypropyl)sulfanyl)3methyl7(3methylbutyl)37dihydro1Hpurine26dione
8((3CHLORO2HYDROXYPROPYL)SULFANYL)7ISOPENTYL3METHYL37DIHYDRO1HPURINE26DIONE
8((3chloro2hydroxypropyl)thio)7isopentyl3methyl1Hpurine26(3H7H)dione
8(3CHLORO2HYDROXYPROPYL)SULFANYL3METHYL7(3METHYLBUTYL)PURINE26DIONE
8(3CHLORO2HYDROXYPROPYLTHIO)3METHYL7(3METHYLBUTYL)137TRIHYDROPURINE26DIONE
CC(C)CCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C
ClCC(CSc1nc2c(n1CCC(C)C)c(=O)(nH)c(=O)n2C)O
InChI=1SC14H21ClN4O3Sc18(2)45191011(18(3)13(22)1712(10)21)1614(19)2379(20)615h8920H47H213H3(H172122)
MFCD00754371
ZINC000000678508
ZINC000000678510

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Available files

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