Vitas-M small molecule compound
benzyl N-{(2E)-3-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}glycinate
Catalog ID
STK699618
SMILES O=C(OCc1ccccc1)CNC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)c1ccccc1
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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 C32H28N2O7S MW 584.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O7S/c1-23-12-18-28(19-13-23)42(38,39)41-27-16-14-24(15-17-27)20-29(34-31(36)26-10-6-3-7-11-26)32(37)33-21-30(35)40-22-25-8-4-2-5-9-25/h2-20H,21-22H2,1H3,(H,33,37)(H,34,36)/b29-20+InChIKey
UPPVMSKTGWPJQT-ZTKZIYFRSA-NSynonyms
(E)benzyl2(2benzamido3(4(tosyloxy)phenyl)acrylamido)acetate
BENZYL2(((E)2BENZAMIDO3(4(4METHYLPHENYL)SULFONYLOXYPHENYL)PROP2ENOYL)AMINO)ACETATE
benzylN((2E)3(4(((4methylphenyl)sulfonyl)oxy)phenyl)2((phenylcarbonyl)amino)prop2enoyl)glycinate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NCC(=O)OCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4
InChI=1SC32H28N2O7Sc123121828(191323)42(3839)4127161424(151727)2029(3431(36)26106371126)32(37)332130(35)4022258425925h220H2122H21H3(H3337)(H3436)b2920+
MFCD01558539
O=C(OCc1ccccc1)CNC(=O)C(=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)NC(=O)c1ccccc1
ZINC000097968825
ZINC97968825
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