Vitas-M small molecule compound
3-{[3-methyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid
Catalog ID
STL493289
SMILES C=CCn1c(SCCC(=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/c1-3-5-16-8-9(15(2)11(20)14-10(8)19)13-12(16)21-6-4-7(17)18/h3H,1,4-6H2,2H3,(H,17,18)(H,14,19,20)InChIKey
MEAUFUUPXYIYQU-UHFFFAOYSA-NSynonyms
301354-09-63((3methyl26dioxo7(prop2en1yl)2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((6HYDROXY3METHYL2OXO7(PROP2EN1YL)37DIHYDRO2HPURIN8YL)SULFANYL)PROPANOICACID
3((7allyl3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
3(3METHYL26DIOXO7PROP2ENYL137TRIHYDROPURIN8YLTHIO)PROPANOICACID
3(3METHYL26DIOXO7PROP2ENYLPURIN8YL)SULFANYLPROPANOICACID
C=CCn1c(SCCC(=O)O)nc2c1c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC(=O)O)CC=C
InChI=1SC12H14N4O4Sc1351689(15(2)11(20)1410(8)19)1312(16)21647(17)18h3H146H22H3(H1718)(H141920)
MFCD00612594
ZINC000000093011
ZINC93011
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