Vitas-M small molecule compound
1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-[(4-methylphenyl)sulfonyl]-D-isoleucinate
Catalog ID
STK591247
SMILES CC[C@@H]([C@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)NS(=O)(=O)c1ccc(cc1)C)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 C27H27NO7S MW 509.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO7S/c1-5-16(3)24(28-36(32,33)19-11-9-15(2)10-12-19)27(31)34-18-13-21(29)23-22(14-18)35-26-17(4)7-6-8-20(26)25(23)30/h6-14,16,24,28-29H,5H2,1-4H3/t16-,24+/m0/s1InChIKey
GLHHMFXOFPSGJY-UPCLLVRISA-NSynonyms
1014065-46-3(1hydroxy5methyl9oxoxanthen3yl)(2R3S)3methyl2((4methylphenyl)sulfonylamino)pentanoate
(2R3S)1hydroxy5methyl9oxo9Hxanthen3yl3methyl2(4methylphenylsulfonamido)pentanoate
1014065463
1hydroxy5methyl9oxo9Hxanthen3ylN((4methylphenyl)sulfonyl)Disoleucinate
CC(C@@H)((C@H)(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)NS(=O)(=O)c1ccc(cc1)C)C
CCC(C)C(C(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC=C3C)O)NS(=O)(=O)C4=CC=C(C=C4)C
InChI=1SC27H27NO7Sc1516(3)24(2836(3233)1911915(2)101219)27(31)34181321(29)2322(1418)352617(4)76820(26)25(23)30h61416242829H5H214H3t1624+m0s1
MFCD18245907
ZINC000009129417
ZINC09129417
ZINC9129417
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