Vitas-M small molecule compound

(2S)-2-{[(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}-4-methylpentyl thiophene-2-carboxylate

Catalog ID
STK617262
SMILES CC(C[C@H](NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)COC(=O)c1cccs1)C

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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 C29H33NO6S MW 523.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6S/c1-16(2)10-18(14-35-28(33)25-8-7-9-37-25)30-26(31)12-20-17(3)19-11-21-22(29(4,5)6)15-34-23(21)13-24(19)36-27(20)32/h7-9,11,13,15-16,18H,10,12,14H2,1-6H3,(H,30,31)/t18-/m0/s1
InChIKey
NIBSLLRZGHUYMA-SFHVURJKSA-N
Synonyms
956957-78-1
((2S)2((2(3tertbutyl5methyl7oxofuro(32g)chromen6yl)acetyl)amino)4methylpentyl)thiophene2carboxylate
(2S)2(((3tertbutyl5methyl7oxo7Hfuro(32g)chromen6yl)acetyl)amino)4methylpentylthiophene2carboxylate
(S)2(2(3(tertbutyl)5methyl7oxo7Hfuro(32g)chromen6yl)acetamido)4methylpentylthiophene2carboxylate
956957781
CC(C(C@H)(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)COC(=O)c1cccs1)C
CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CC(=O)NC(CC(C)C)COC(=O)C4=CC=CS4
InChI=1SC29H33NO6Sc116(2)1018(143528(33)258793725)3026(31)122017(3)19112122(29(45)6)153423(21)1324(19)3627(20)32h791113151618H101214H216H3(H3031)t18m0s1
MFCD08291753
ZINC000013608878
ZINC13608878

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Available files

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