Vitas-M small molecule compound
2-({7-[(2E)-but-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid
Catalog ID
STK700796
SMILES C/C=C/Cn1c(SC(C(=O)O)C)nc2c1c(=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 C13H16N4O4S MW 324.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O4S/c1-4-5-6-17-8-9(16(3)12(21)15-10(8)18)14-13(17)22-7(2)11(19)20/h4-5,7H,6H2,1-3H3,(H,19,20)(H,15,18,21)/b5-4+InChIKey
GANBFBUAXVBOMI-SNAWJCMRSA-NSynonyms
306732-98-9(E)2((7(but2en1yl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
2((7((2E)but2en1yl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
2(7((E)BUT2ENYL)3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOICACID
306732989
CC=CCn1c(SC(C(=O)O)C)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1SC(C)C(=O)O)N(C(=O)NC2=O)C
InChI=1SC13H16N4O4Sc14561789(16(3)12(21)1510(8)18)1413(17)227(2)11(19)20h457H6H213H3(H1920)(H151821)b54+
MFCD01555518
ZINC000013739051
ZINC000013739052
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