Vitas-M small molecule compound

methyl 2-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoate

Catalog ID
STK844279
SMILES COC(=O)C(Sc1nc2c(n1CCC(C)C)c(=O)n(c(=O)n2C)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 C16H24N4O4S MW 368.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H24N4O4S/c1-9(2)7-8-20-11-12(18(4)16(23)19(5)13(11)21)17-15(20)25-10(3)14(22)24-6/h9-10H,7-8H2,1-6H3
InChIKey
WCZXQLRGOLIDEO-UHFFFAOYSA-N
Synonyms
476481-88-6
2((13DIMETHYL7(3METHYLBUTYL)26DIOXO8PURINYL)THIO)PROPANOICACIDMETHYLESTER
2((7ISOAMYL26DIKETO13DIMETHYLPURIN8YL)THIO)PROPIONICACIDMETHYLESTER
476481886
CC(C)CCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)N(C2=O)C)C
InChI=1SC16H24N4O4Sc19(2)78201112(18(4)16(23)19(5)13(11)21)1715(20)2510(3)14(22)246h910H78H216H3
methyl2((13dimethyl7(3methylbutyl)26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoate
methyl2((7isopentyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoate
METHYL2(13DIMETHYL7(3METHYLBUTYL)26BIS(OXIDANYLIDENE)PURIN8YL)SULFANYLPROPANOATE
METHYL2(13DIMETHYL7(3METHYLBUTYL)26DIOXO137TRIHYDROPURIN8YLTHIO)PROPANOATE
METHYL2(13DIMETHYL7(3METHYLBUTYL)26DIOXOPURIN8YL)SULFANYLPROPANOATE
MFCD03672280
ZINC000012378322
ZINC000012378323

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Available files

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