Vitas-M small molecule compound

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

Catalog ID
STL325724
SMILES OCC(CSc1nc2c(n1CC(=O)N)c(=O)[nH]c(=O)n2C)O

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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 C11H15N5O5S MW 329.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H15N5O5S/c1-15-8-7(9(20)14-10(15)21)16(2-6(12)19)11(13-8)22-4-5(18)3-17/h5,17-18H,2-4H2,1H3,(H2,12,19)(H,14,20,21)
InChIKey
JUBPTGCYPSNKLE-UHFFFAOYSA-N
Synonyms
332103-33-0
2(8((23dihydroxypropyl)sulfanyl)3methyl26dioxo1236tetrahydro7Hpurin7yl)acetamide
2(8((23DIHYDROXYPROPYL)THIO)3METHYL26DIOXO23DIHYDRO1HPURIN7(6H)YL)ACETAMIDE
2(8(23DIHYDROXYPROPYLSULFANYL)3METHYL26DIOXOPURIN7YL)ACETAMIDE
2(8(23DIHYDROXYPROPYLTHIO)3METHYL26DIOXO137TRIHYDROPURIN7YL)ACETAMIDE
332103330
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CO)O)CC(=O)N
InChI=1SC11H15N5O5Sc11587(9(20)1410(15)21)16(26(12)19)11(138)2245(18)317h51718H24H21H3(H21219)(H142021)
MFCD01876146
OCC(CSc1nc2c(n1CC(=O)N)c(=O)(nH)c(=O)n2C)O
ZINC000002271594
ZINC000002271595
ZINC03903325

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Available files

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