Vitas-M small molecule compound

2-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]acetamide

Catalog ID
STK612140
SMILES CSCC[C@H](NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)CO

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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 C23H29NO5S MW 431.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5S/c1-13-15-8-17-18(23(2,3)4)12-28-19(17)10-20(15)29-22(27)16(13)9-21(26)24-14(11-25)6-7-30-5/h8,10,12,14,25H,6-7,9,11H2,1-5H3,(H,24,26)/t14-/m0/s1
InChIKey
SJRXPWXWTXALKC-AWEZNQCLSA-N
Synonyms
956380-76-0
(S)2(3(tertbutyl)5methyl7oxo7Hfuro(32g)chromen6yl)N(1hydroxy4(methylthio)butan2yl)acetamide
2(3tertbutyl5methyl7oxo7Hfuro(32g)chromen6yl)N((2S)1hydroxy4(methylsulfanyl)butan2yl)acetamide
2(3tertbutyl5methyl7oxofuro(32g)chromen6yl)N((2S)1hydroxy4methylsulfanylbutan2yl)acetamide
956380760
CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CC(=O)NC(CCSC)CO
CSCC(C@H)(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)CO
InChI=1SC23H29NO5Sc1131581718(23(23)4)122819(17)1020(15)2922(27)16(13)921(26)2414(1125)67305h810121425H67911H215H3(H2426)t14m0s1
MFCD08292981
ZINC000009059477
ZINC09059477
ZINC9059477

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Available files

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