Vitas-M small molecule compound
4-(4,6,6-trimethyl-2-thioxohexahydropyrimidin-4-yl)benzene-1,3-diyl diacetate
Catalog ID
STK371582
SMILES CC(=O)Oc1cc(ccc1C1(C)NC(=S)NC(C1)(C)C)OC(=O)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 C17H22N2O4S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O4S/c1-10(20)22-12-6-7-13(14(8-12)23-11(2)21)17(5)9-16(3,4)18-15(24)19-17/h6-8H,9H2,1-5H3,(H2,18,19,24)InChIKey
VRBHUQRIIFZWGJ-UHFFFAOYSA-NSynonyms
294874-61-6(3ACETYLOXY4(466TRIMETHYL2SULFANYLIDENE13DIAZINAN4YL)PHENYL)ACETATE
294874616
3(ACETYLOXY)4(466TRIMETHYL2THIOXOHEXAHYDRO4PYRIMIDINYL)PHENYLACETATE
4(466trimethyl2thioxohexahydropyrimidin4yl)benzene13diyldiacetate
CC(=O)OC1=CC(=C(C=C1)C2(CC(NC(=S)N2)(C)C)C)OC(=O)C
InChI=1SC17H22N2O4Sc110(20)22126713(14(812)2311(2)21)17(5)916(34)1815(24)1917h68H9H215H3(H2181924)
MFCD00387051
ZINC000000704941
ZINC000000704942
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