Vitas-M small molecule compound
1,3-dimethyl-5-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-ylsulfonyl)pyrimidine-2,4(1H,3H)-dione
Catalog ID
STK593138
SMILES O=c1n(C)cc(c(=O)n1C)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1
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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 C18H21N3O6S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O6S/c1-19-11-16(17(22)20(2)18(19)23)28(24,25)21-5-4-12-8-14-15(9-13(12)10-21)27-7-3-6-26-14/h8-9,11H,3-7,10H2,1-2H3InChIKey
WVHZHGUKANDBKG-UHFFFAOYSA-NSynonyms
902322-82-113dimethyl5((34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)sulfonyl)pyrimidine24(1H3H)dione
13dimethyl5(34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)ylsulfonyl)pyrimidine24(1H3H)dione
5(2347910hexahydro(14)dioxepino(23g)isoquinolin8ylsulfonyl)13dimethylpyrimidine24dione
902322821
CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CCC3=CC4=C(C=C3C2)OCCCO4
InChI=1SC18H21N3O6Sc1191116(17(22)20(2)18(19)23)28(2425)21541281415(913(12)1021)277362614h8911H3710H212H3
MFCD06790689
ZINC000005347942
ZINC05347942
ZINC5347942
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