Vitas-M small molecule compound
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-2-{[4-methyl-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK272316
SMILES O=C(Nc1cc(=O)n(c(=O)n1C)C)CSc1nnc(n1C)C12CC3CC(C2)CC(C1)C3
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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 C21H28N6O3S MW 444.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O3S/c1-25-15(7-17(29)26(2)20(25)30)22-16(28)11-31-19-24-23-18(27(19)3)21-8-12-4-13(9-21)6-14(5-12)10-21/h7,12-14H,4-6,8-11H2,1-3H3,(H,22,28)InChIKey
ZNUYOWWKFPGCCF-UHFFFAOYSA-NSynonyms
2((5(1ADAMANTYL)4METHYL124TRIAZOL3YL)SULFANYL)N(13DIMETHYL26DIOXOPYRIMIDIN4YL)ACETAMIDE
CN1C(=CC(=O)N(C1=O)C)NC(=O)CSC2=NN=C(N2C)C34CC5CC(C3)CC(C5)C4
InChI=1SC21H28N6O3Sc12515(717(29)26(2)20(25)30)2216(28)113119242318(27(19)3)21812413(921)614(512)1021h71214H46811H213H3(H2228)
MFCD03271957
N(13dimethyl26dioxo1236tetrahydropyrimidin4yl)2((4methyl5(tricyclo(3311~37~)dec1yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000006552861
ZINC06552861
ZINC6552861
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