Vitas-M small molecule compound
1-hydroxy-9-oxo-9H-xanthen-3-yl N-[(4-methylphenyl)sulfonyl]-D-phenylalaninate
Catalog ID
STK582755
SMILES O=C([C@H](NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1
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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 C29H23NO7S MW 529.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23NO7S/c1-18-11-13-21(14-12-18)38(34,35)30-23(15-19-7-3-2-4-8-19)29(33)36-20-16-24(31)27-26(17-20)37-25-10-6-5-9-22(25)28(27)32/h2-14,16-17,23,30-31H,15H2,1H3/t23-/m1/s1InChIKey
PBHXXBYLZCKCJE-HSZRJFAPSA-NSynonyms
1014023-59-6(1hydroxy9oxoxanthen3yl)(2R)2((4methylphenyl)sulfonylamino)3phenylpropanoate
(R)1hydroxy9oxo9Hxanthen3yl2(4methylphenylsulfonamido)3phenylpropanoate
1014023596
1hydroxy9oxo9Hxanthen3ylN((4methylphenyl)sulfonyl)Dphenylalaninate
CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3=CC(=C4C(=C3)OC5=CC=CC=C5C4=O)O
InChI=1SC29H23NO7Sc118111321(141218)38(3435)3023(15197324819)29(33)36201624(31)2726(1720)37251065922(25)28(27)32h2141617233031H15H21H3t23m1s1
MFCD08284460
O=C((C@H)(NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1
ZINC000101373835
ZINC101373835
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