Vitas-M small molecule compound
N,N-dimethyl-4-{[(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromen-7-yl]methyl}piperazine-1-sulfonamide
Catalog ID
STL539583
SMILES OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)S(=O)(=O)N(C)C)O)OC
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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 C21H31N3O11S MW 533.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3O11S/c1-22(2)36(31,32)24-6-4-23(5-7-24)8-10-12-13(16(28)19(33-3)14(10)26)18-20(35-21(12)30)17(29)15(27)11(9-25)34-18/h11,15,17-18,20,25-29H,4-9H2,1-3H3/t11-,15-,17+,18+,20-/m1/s1InChIKey
XQFOAQWCTWXZON-NSJDZECESA-NSynonyms
4(((2~(R)3~(S)4~(S)4~(a)~(R)10~(b)~(S))34810tetrahydroxy2(hydroxymethyl)9methoxy6oxo344~(a)10~(b)tetrahydro2~(H)pyrano(32c)isochromen7yl)methyl)~(N)~(N)dimethylpiperazine1sulfonamide
71753738
InChI=1SC21H31N3O11Sc122(2)36(3132)246423(5724)8101213(16(28)19(333)14(10)26)1820(3521(12)30)17(29)15(27)11(925)3418h11151718202529H49H213H3t111517+18+20m1s1
NNdimethyl4(((2R3S4S4aR10bS)34810tetrahydroxy2(hydroxymethyl)9methoxy6oxo2344a610bhexahydropyrano(32c)isochromen7yl)methyl)piperazine1sulfonamide
OC(C@H)1O(C@@H)2(C@@H)((C@H)((C@@H)1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)S(=O)(=O)N(C)C)O)OC
ZINC000079189090
ZINC79189090
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