Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-2-{[3-(furan-2-ylmethyl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL093291
SMILES O=C(Nc1ccc(cc1C)C)CSc1nc2cc([nH]c2c(=O)n1Cc1ccco1)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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-13-6-7-17(14(2)9-13)24-19(27)12-30-22-25-18-10-15(3)23-20(18)21(28)26(22)11-16-5-4-8-29-16/h4-10,23H,11-12H2,1-3H3,(H,24,27)InChIKey
GPAOSMAEOJYVGX-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)NC(=C3)C)C
InChI=1SC22H22N4O3Sc1136717(14(2)913)2419(27)12302225181015(3)2320(18)21(28)26(22)11165482916h41023H1112H213H3(H2427)
MFCD18787425
N(24dimethylphenyl)2((3(furan2ylmethyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(24dimethylphenyl)2((3(furan2ylmethyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
O=C(Nc1ccc(cc1C)C)CSc1nc2cc((nH)c2c(=O)n1Cc1ccco1)C
ZINC000067236350
ZINC67236350
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