Vitas-M small molecule compound
2-({7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Catalog ID
STK834408
SMILES OC(Cn1c(SCC(=O)N)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl
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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 C17H18ClN5O5S MW 439.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClN5O5S/c1-22-14-13(15(26)21-16(22)27)23(17(20-14)29-8-12(19)25)6-10(24)7-28-11-4-2-9(18)3-5-11/h2-5,10,24H,6-8H2,1H3,(H2,19,25)(H,21,26,27)InChIKey
ZXESKNOSJXNHPP-UHFFFAOYSA-NSynonyms
328070-48-02((7(3(4chlorophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
2((7(3(4chlorophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetamide
2(7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
328070480
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CC(COC3=CC=C(C=C3)Cl)O
InChI=1SC17H18ClN5O5Sc1221413(15(26)2116(22)27)23(17(2014)29812(19)25)610(24)72811429(18)3511h251024H68H21H3(H21925)(H212627)
MFCD00754454
OC(Cn1c(SCC(=O)N)nc2c1c(=O)(nH)c(=O)n2C)COc1ccc(cc1)Cl
ZINC000002055843
ZINC000002055844
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