Vitas-M small molecule compound
6-chloro-8-{[(1,1-dioxidotetrahydrothiophen-3-yl)ammonio]methyl}-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STK628904
SMILES O=c1cc(C)c2c(o1)c(C[NH2+]C1CCS(=O)(=O)C1)c(c(c2)Cl)[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 C15H16ClNO5S MW 357.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16ClNO5S/c1-8-4-13(18)22-15-10(8)5-12(16)14(19)11(15)6-17-9-2-3-23(20,21)7-9/h4-5,9,17,19H,2-3,6-7H2,1H3InChIKey
SUUXNWCDNNKPPJ-UHFFFAOYSA-NSynonyms
6chloro8(((11dioxidotetrahydrothiophen3yl)ammonio)methyl)4methyl2oxo2Hchromen7olate
6chloro8(((11dioxothiolan3yl)amino)methyl)7hydroxy4methylchromen2one
CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNC3CCS(=O)(=O)C3
InChI=1SC15H16ClNO5Sc18413(18)221510(8)512(16)14(19)11(15)61792323(2021)79h4591719H2367H21H3
MFCD08750043
O=c1cc(C)c2c(o1)c(C(NH2+)C1CCS(=O)(=O)C1)c(c(c2)Cl)(O)
ZINC000020624269
ZINC000020624272
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