Vitas-M small molecule compound
{[3-methyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid
Catalog ID
STK528806
SMILES C=CCn1c(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 C11H12N4O4S MW 296.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12N4O4S/c1-3-4-15-7-8(12-11(15)20-5-6(16)17)14(2)10(19)13-9(7)18/h3H,1,4-5H2,2H3,(H,16,17)(H,13,18,19)InChIKey
MNZODCMULDVSIQ-UHFFFAOYSA-NSynonyms
330818-28-5((3methyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
2((7allyl3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)aceticacid
2(3METHYL26DIOXO7PROP2ENYLPURIN8YL)SULFANYLACETICACID
330818285
C=CCn1c(SCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC=C
InChI=1SC11H12N4O4Sc1341578(1211(15)2056(16)17)14(2)10(19)139(7)18h3H145H22H3(H1617)(H131819)
MFCD00653087
ZINC000000343047
ZINC343047
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