Vitas-M small molecule compound
1-{3-[(4,6-dihydroxy-2-sulfanylpyrimidin-5-yl)methyl]-4-(propan-2-yloxy)phenyl}ethanone
Catalog ID
STK833385
SMILES CC(Oc1ccc(cc1Cc1c(O)nc(nc1O)S)C(=O)C)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 C16H18N2O4S MW 334.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4S/c1-8(2)22-13-5-4-10(9(3)19)6-11(13)7-12-14(20)17-16(23)18-15(12)21/h4-6,8H,7H2,1-3H3,(H3,17,18,20,21,23)InChIKey
DCIDOXBJPJVTFZ-UHFFFAOYSA-NSynonyms
78927-64-71(3((46dihydroxy2mercaptopyrimidin5yl)methyl)4isopropoxyphenyl)ethanone
1(3((46dihydroxy2sulfanylpyrimidin5yl)methyl)4(propan2yloxy)phenyl)ethanone
5((5ACETYL2PROPAN2YLOXYPHENYL)METHYL)6HYDROXY2SULFANYLIDENE1HPYRIMIDIN4ONE
78927647
CC(C)OC1=C(C=C(C=C1)C(=O)C)CC2=C(NC(=S)NC2=O)O
InChI=1SC16H18N2O4Sc18(2)22135410(9(3)19)611(13)71214(20)1716(23)1815(12)21h468H7H213H3(H31718202123)
MFCD01211400
ZINC000006493459
ZINC6493459
Check stock
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Check stock on Vitas-MAvailable files
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