Vitas-M small molecule compound
methyl 2-[({[3-(butan-2-yl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL093767
SMILES CCC(n1c(SCC(=O)Nc2ccccc2C(=O)OC)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 C21H24N4O4S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4S/c1-5-13(3)25-19(27)18-16(10-12(2)22-18)24-21(25)30-11-17(26)23-15-9-7-6-8-14(15)20(28)29-4/h6-10,13,22H,5,11H2,1-4H3,(H,23,26)InChIKey
OLLJAMPLZYDJOV-UHFFFAOYSA-NSynonyms
CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC
CCC(n1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2c(c1=O)(nH)c(c2)C)C
InChI=1SC21H24N4O4Sc1513(3)2519(27)1816(1012(2)2218)2421(25)301117(26)2315976814(15)20(28)294h6101322H511H214H3(H2326)
methyl2((((3(butan2yl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl2((2((3butan2yl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
MFCD18787901
ZINC000067238793
ZINC000067238795
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