Vitas-M small molecule compound
2-oxo-4-propyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate
Catalog ID
STL462525
SMILES CCCc1cc(=O)oc2c1ccc(c2)OC(=O)[C@H]([C@@H](CC)C)NS(=O)(=O)c1ccc(cc1)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 C25H29NO6S MW 471.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6S/c1-5-7-18-14-23(27)32-22-15-19(10-13-21(18)22)31-25(28)24(17(4)6-2)26-33(29,30)20-11-8-16(3)9-12-20/h8-15,17,24,26H,5-7H2,1-4H3/t17-,24+/m1/s1InChIKey
WPAANRZIOHWEDO-OSPHWJPCSA-NSynonyms
(2OXO4PROPYLCHROMEN7YL)(2S3R)3METHYL2((4METHYLPHENYL)SULFONYLAMINO)PENTANOATE
(2S3R)2oxo4propyl2Hchromen7yl3methyl2(4methylphenylsulfonamido)pentanoate
2oxo4propyl2Hchromen7ylN((4methylphenyl)sulfonyl)Lisoleucinate
CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(C(C)CC)NS(=O)(=O)C3=CC=C(C=C3)C
CCCc1cc(=O)oc2c1ccc(c2)OC(=O)(C@@H)((C@@H)(CC)C)NS(=O)(=O)c1ccc(cc1)C
CCCc1cc(=O)oc2c1ccc(c2)OC(=O)(C@H)((C@@H)(CC)C)NS(=O)(=O)c1ccc(cc1)C
InChI=1SC25H29NO6Sc157181423(27)32221519(101321(18)22)3125(28)24(17(4)62)2633(2930)2011816(3)91220h815172426H57H214H3t1724+m1s1
MFCD10041166
ZINC000002093843
ZINC02093843
ZINC2093843
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