Vitas-M small molecule compound
3-methyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK016857
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nc2c(n1C(C)C)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 C17H17N5O5S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O5S/c1-9(2)21-13-14(20(3)16(25)19-15(13)24)18-17(21)28-8-12(23)10-4-6-11(7-5-10)22(26)27/h4-7,9H,8H2,1-3H3,(H,19,24,25)InChIKey
SRLDVFGSDMVNCT-UHFFFAOYSA-NSynonyms
313470-79-0313470790
3METHYL8((2(4NITROPHENYL)2OXOETHYL)SULFANYL)7(PROPAN2YL)37DIHYDRO1HPURINE26DIONE
3METHYL8(2(4NITROPHENYL)2OXOETHYL)SULFANYL7PROPAN2YLPURINE26DIONE
7ISOPROPYL3METHYL8((2(4NITROPHENYL)2OXOETHYL)THIO)1HPURINE26(3H7H)DIONE
CC(C)N1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)(N+)(=O)(O))N(C(=O)NC2=O)C
InChI=1SC17H17N5O5Sc19(2)211314(20(3)16(25)1915(13)24)1817(21)28812(23)104611(7510)22(26)27h479H8H213H3(H192425)
MFCD01032110
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nc2c(n1C(C)C)c(=O)(nH)c(=O)n2C
STK016857
ZINC000002229658
ZINC02229658
ZINC2229658
Check stock
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Check stock on Vitas-MAvailable files
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