Vitas-M small molecule compound
2-[(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Catalog ID
STK370901
SMILES Cc1cc(=O)n2c(n1)sc(n2)/N=C/1\C=C(C(=O)C(=C1)C(C)(C)C)C(C)(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 C20H24N4O2S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O2S/c1-11-8-15(25)24-18(21-11)27-17(23-24)22-12-9-13(19(2,3)4)16(26)14(10-12)20(5,6)7/h8-10H,1-7H3InChIKey
BOBGCBAIFOSMHY-UHFFFAOYSA-NSynonyms
2((35BIS(TERTBUTYL)4OXOCYCLOHEXA25DIENYLIDENE)AZAMETHYL)7METHYL4HYDRO134THIADIAZOLINO(32A)PYRIMIDIN5ONE
2((35DITERTBUTYL4OXOCYCLOHEXA25DIEN1YLIDENE)AMINO)7METHYL(134)THIADIAZOLO(32A)PYRIMIDIN5ONE
2((35ditertbutyl4oxocyclohexa25dien1ylidene)amino)7methyl5H(134)thiadiazolo(32a)pyrimidin5one
CC1=CC(=O)N2C(=N1)SC(=N2)N=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C
Cc1cc(=O)n2c(n1)sc(n2)N=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
InChI=1SC20H24N4O2Sc111815(25)2418(2111)2717(2324)2212913(19(23)4)16(26)14(1012)20(56)7h810H17H3
MFCD00354709
ZINC000004064984
ZINC04064984
ZINC4064984
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