Vitas-M small molecule compound
2-{[3-(butan-2-yl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-chlorobenzyl)acetamide
Catalog ID
STL093746
SMILES CCC(n1c(SCC(=O)NCc2ccccc2Cl)nc2c(c1=O)[nH]c(c2)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 C20H23ClN4O2S MW 418.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN4O2S/c1-4-13(3)25-19(27)18-16(9-12(2)23-18)24-20(25)28-11-17(26)22-10-14-7-5-6-8-15(14)21/h5-9,13,23H,4,10-11H2,1-3H3,(H,22,26)InChIKey
ZLYHIHVTPGWXIY-UHFFFAOYSA-NSynonyms
2((3(butan2yl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(2chlorobenzyl)acetamide
2((3butan2yl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N((2chlorophenyl)methyl)acetamide
CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NCC3=CC=CC=C3Cl
CCC(n1c(SCC(=O)NCc2ccccc2Cl)nc2c(c1=O)(nH)c(c2)C)C
InChI=1SC20H23ClN4O2Sc1413(3)2519(27)1816(912(2)2318)2420(25)281117(26)221014756815(14)21h591323H41011H213H3(H2226)
MFCD18787880
ZINC000067238650
ZINC000067238653
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