Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-methyl-3-(2-methylpropyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL093554
SMILES CC(Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)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/c1-12(2)10-25-20(27)19-15(8-13(3)22-19)24-21(25)30-11-18(26)23-14-4-5-16-17(9-14)29-7-6-28-16/h4-5,8-9,12,22H,6-7,10-11H2,1-3H3,(H,23,26)InChIKey
SEMICIODVGCNMQ-UHFFFAOYSA-NSynonyms
CC(Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c(c1=O)(nH)c(c2)C)C
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)CC(C)C
InChI=1SC21H24N4O4Sc112(2)102520(27)1915(813(3)2219)2421(25)301118(26)2314451617(914)29762816h45891222H671011H213H3(H2326)
MFCD18787688
N(23dihydro14benzodioxin6yl)2((6methyl3(2methylpropyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(23dihydro14benzodioxin6yl)2((6methyl3(2methylpropyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067237823
ZINC67237823
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