Vitas-M small molecule compound
sodium 4-[(N,N-dimethyl-beta-alanyl)amino]-4-methyltetrahydrothiophene-3-sulfonate 1,1-dioxide
Catalog ID
STK700977
SMILES CN(CCC(=O)NC1(C)CS(=O)(=O)CC1S(=O)(=O)[O-])C.[Na+]
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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 C10H19N2NaO6S2 MW 350.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H20N2O6S2.Na/c1-10(11-9(13)4-5-12(2)3)7-19(14,15)6-8(10)20(16,17)18;/h8H,4-7H2,1-3H3,(H,11,13)(H,16,17,18);/q;+1/p-1InChIKey
CKTJIFBOGSQCBC-UHFFFAOYSA-MSynonyms
CC1(CS(=O)(=O)CC1S(=O)(=O)(O))NC(=O)CCN(C)C(Na+)
CN(CCC(=O)NC1(C)CS(=O)(=O)CC1S(=O)(=O)(O))C(Na+)
InChI=1SC10H20N2O6S2Nac110(119(13)4512(2)3)719(1415)68(10)20(1617)18h8H47H213H3(H1113)(H161718)q+1p1
MFCD01554238
sodium4((NNdimethylbetaalanyl)amino)4methyltetrahydrothiophene3sulfonate11dioxide
sodium4(3(dimethylamino)propanamido)4methyltetrahydrothiophene3sulfonate11dioxide
sodium4(3(dimethylamino)propanoylamino)4methyl11dioxothiolane3sulfonate
ZINC000002257505
ZINC000004771239
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