Vitas-M small molecule compound
8-{[(1,1-dioxidotetrahydrothiophen-3-yl)ammonio]methyl}-2-oxo-4-propyl-2H-chromen-7-olate
Catalog ID
STK631099
SMILES CCCc1cc(=O)oc2c1ccc(c2C[NH2+]C1CCS(=O)(=O)C1)[O-]
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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 C17H21NO5S MW 351.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO5S/c1-2-3-11-8-16(20)23-17-13(11)4-5-15(19)14(17)9-18-12-6-7-24(21,22)10-12/h4-5,8,12,18-19H,2-3,6-7,9-10H2,1H3InChIKey
NUVUZTGZMPYNEE-UHFFFAOYSA-NSynonyms
8(((11dioxidotetrahydrothiophen3yl)ammonio)methyl)2oxo4propyl2Hchromen7olate
8(((11dioxothiolan3yl)amino)methyl)7hydroxy4propylchromen2one
CCCC1=CC(=O)OC2=C1C=CC(=C2CNC3CCS(=O)(=O)C3)O
CCCc1cc(=O)oc2c1ccc(c2C(NH2+)C1CCS(=O)(=O)C1)(O)
InChI=1SC17H21NO5Sc12311816(20)231713(11)4515(19)14(17)918126724(2122)1012h458121819H2367910H21H3
MFCD08747407
ZINC000009305964
ZINC000009305966
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