Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[6-methyl-3-(2-methylpropyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL093549
SMILES CC(Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-11(2)8-24-19(26)18-14(6-12(3)21-18)23-20(24)29-9-17(25)22-13-4-5-15-16(7-13)28-10-27-15/h4-7,11,21H,8-10H2,1-3H3,(H,22,25)InChIKey
KWESYGRXURFUPP-UHFFFAOYSA-NSynonyms
CC(Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1=O)(nH)c(c2)C)C
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)CC(C)C
InChI=1SC20H22N4O4Sc111(2)82419(26)1814(612(3)2118)2320(24)29917(25)2213451516(713)28102715h471121H810H213H3(H2225)
MFCD18787683
N(13benzodioxol5yl)2((6methyl3(2methylpropyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2((6methyl3(2methylpropyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067237790
ZINC67237790
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