Vitas-M small molecule compound
N-(4-bromo-3-methylphenyl)-2-{[3-(butan-2-yl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL093837
SMILES CCC(n1c(SCC(=O)Nc2ccc(c(c2)C)Br)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 C20H23BrN4O2S MW 463.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23BrN4O2S/c1-5-13(4)25-19(27)18-16(9-12(3)22-18)24-20(25)28-10-17(26)23-14-6-7-15(21)11(2)8-14/h6-9,13,22H,5,10H2,1-4H3,(H,23,26)InChIKey
NAFAQUPQVBJNBF-UHFFFAOYSA-NSynonyms
CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC(=C(C=C3)Br)C
CCC(n1c(SCC(=O)Nc2ccc(c(c2)C)Br)nc2c(c1=O)(nH)c(c2)C)C
InChI=1SC20H23BrN4O2Sc1513(4)2519(27)1816(912(3)2218)2420(25)281017(26)23146715(21)11(2)814h691322H510H214H3(H2326)
MFCD18787971
N(4bromo3methylphenyl)2((3(butan2yl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(4bromo3methylphenyl)2((3butan2yl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067239200
ZINC000067239201
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