Vitas-M small molecule compound
({7-[(2E)-but-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
Catalog ID
STK700863
SMILES C/C=C/Cn1c(SCC(=O)O)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 C12H14N4O4S MW 310.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N4O4S/c1-3-4-5-16-8-9(13-12(16)21-6-7(17)18)15(2)11(20)14-10(8)19/h3-4H,5-6H2,1-2H3,(H,17,18)(H,14,19,20)/b4-3+InChIKey
SVRDUAQCINNXIE-ONEGZZNKSA-NSynonyms
305867-36-1((7((2E)but2en1yl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
(E)2((7(but2en1yl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)aceticacid
2(7((2E)BUT2ENYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)ACETICACID
2(7((E)BUT2ENYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETICACID
305867361
CC=CCn1c(SCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C
InChI=1SC12H14N4O4Sc13451689(1312(16)2167(17)18)15(2)11(20)1410(8)19h34H56H212H3(H1718)(H141920)b43+
MFCD01553965
ZINC000013512280
ZINC13512280
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