Vitas-M small molecule compound
ethyl (2E)-2-({2-[(4-ethylphenyl)amino]-4-fluorophenyl}sulfonyl)-3-[(4-methylbenzyl)amino]prop-2-enoate
Catalog ID
STL133522
SMILES CCOC(=O)/C(=C\NCc1ccc(cc1)C)/S(=O)(=O)c1ccc(cc1Nc1ccc(cc1)CC)F
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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 C27H29FN2O4S MW 496.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29FN2O4S/c1-4-20-10-13-23(14-11-20)30-24-16-22(28)12-15-25(24)35(32,33)26(27(31)34-5-2)18-29-17-21-8-6-19(3)7-9-21/h6-16,18,29-30H,4-5,17H2,1-3H3/b26-18+InChIKey
QLRTZKIPWGKXRU-NLRVBDNBSA-NSynonyms
CCC1=CC=C(C=C1)NC2=C(C=CC(=C2)F)S(=O)(=O)C(=CNCC3=CC=C(C=C3)C)C(=O)OCC
CCOC(=O)C(=CNCc1ccc(cc1)C)S(=O)(=O)c1ccc(cc1Nc1ccc(cc1)CC)F
ethyl(2E)2((2((4ethylphenyl)amino)4fluorophenyl)sulfonyl)3((4methylbenzyl)amino)prop2enoate
ethyl(E)2(2(4ethylanilino)4fluorophenyl)sulfonyl3((4methylphenyl)methylamino)prop2enoate
InChI=1SC27H29FN2O4Sc1420101323(141120)30241622(28)121525(24)35(3233)26(27(31)3452)182917218619(3)7921h616182930H4517H213H3b2618+
MFCD20753727
ZINC000067340775
ZINC67340775
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