Vitas-M small molecule compound

N-(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)propanamide

Catalog ID
STK621333
SMILES COc1cc2OC(C)(C)CCc2c2c1c(C)c(CCC(=O)NC1CS(=O)(=O)CC1O)c(=O)o2

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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 C23H29NO8S MW 479.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO8S/c1-12-13(5-6-19(26)24-15-10-33(28,29)11-16(15)25)22(27)31-21-14-7-8-23(2,3)32-17(14)9-18(30-4)20(12)21/h9,15-16,25H,5-8,10-11H2,1-4H3,(H,24,26)
InChIKey
XYFZMHJESBTIEN-UHFFFAOYSA-N
Synonyms
1014408-87-7
1014408877
CC1=C(C(=O)OC2=C3CCC(OC3=CC(=C12)OC)(C)C)CCC(=O)NC4CS(=O)(=O)CC4O
InChI=1SC23H29NO8Sc11213(5619(26)24151033(2829)1116(15)25)22(27)3121147823(23)3217(14)918(304)20(12)21h9151625H581011H214H3(H2426)
N(4hydroxy11dioxidotetrahydrothiophen3yl)3(5methoxy488trimethyl2oxo28910tetrahydropyrano(23f)chromen3yl)propanamide
N(4hydroxy11dioxidotetrahydrothiophen3yl)3(5methoxy488trimethyl2oxo910dihydro2H8Hpyrano(23f)chromen3yl)propanamide
N(4hydroxy11dioxothiolan3yl)3(5methoxy488trimethyl2oxo910dihydropyrano(23h)chromen3yl)propanamide
ZINC000013690621
ZINC000013690624

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Available files

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