Vitas-M small molecule compound

2-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide

Catalog ID
STK834934
SMILES CCc1ccc(cc1)OCC(Cn1c(SCC(=O)N)nc2c1c(=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 C19H23N5O5S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N5O5S/c1-3-11-4-6-13(7-5-11)29-9-12(25)8-24-15-16(21-19(24)30-10-14(20)26)23(2)18(28)22-17(15)27/h4-7,12,25H,3,8-10H2,1-2H3,(H2,20,26)(H,22,27,28)
InChIKey
YHYOYCWBKHGMQS-UHFFFAOYSA-N
Synonyms
328071-98-3
2((7(3(4ethylphenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
2((7(3(4ethylphenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetamide
2(7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
328071983
CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SCC(=O)N)N(C(=O)NC3=O)C)O
CCc1ccc(cc1)OCC(Cn1c(SCC(=O)N)nc2c1c(=O)(nH)c(=O)n2C)O
InChI=1SC19H23N5O5Sc13114613(7511)29912(25)8241516(2119(24)301014(20)26)23(2)18(28)2217(15)27h471225H3810H212H3(H22026)(H222728)
MFCD00754431
ZINC000002217296
ZINC000002217298

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Available files

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