Vitas-M small molecule compound

7-(2-chlorobenzyl)-3-methyl-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK805536
SMILES C=CCSc1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]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 C16H15ClN4O2S MW 362.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN4O2S/c1-3-8-24-16-18-13-12(14(22)19-15(23)20(13)2)21(16)9-10-6-4-5-7-11(10)17/h3-7H,1,8-9H2,2H3,(H,19,22,23)
InChIKey
FTQUYAYDTPGLRF-UHFFFAOYSA-N
Synonyms
328071-90-5
328071905
7((2CHLOROPHENYL)METHYL)3METHYL8PROP2ENYLSULFANYLPURINE26DIONE
7((2CHLOROPHENYL)METHYL)3METHYL8PROP2ENYLTHIO137TRIHYDROPURINE26DIONE
7(2chlorobenzyl)3methyl8(prop2en1ylsulfanyl)37dihydro1Hpurine26dione
8(ALLYLTHIO)7(2CHLOROBENZYL)3METHYL1HPURINE26(3H7H)DIONE
C=CCSc1nc2c(n1Cc1ccccc1Cl)c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CC3=CC=CC=C3Cl
InChI=1SC16H15ClN4O2Sc1382416181312(14(22)1915(23)20(13)2)21(16)910645711(10)17h37H189H22H3(H192223)
MFCD01051720
ZINC000002217283
ZINC02217283
ZINC2217283

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Available files

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