Vitas-M small molecule compound
4-[(3-{(Z)-[2-(acetylamino)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK113071
SMILES CC(=O)NC1=NC(=O)/C(=C/c2cccc(c2)OCc2ccc(cc2)C(=O)O)/S1
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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 C20H16N2O5S MW 396.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O5S/c1-12(23)21-20-22-18(24)17(28-20)10-14-3-2-4-16(9-14)27-11-13-5-7-15(8-6-13)19(25)26/h2-10H,11H2,1H3,(H,25,26)(H,21,22,23,24)/b17-10-InChIKey
XEFLGNRQZLMOCR-YVLHZVERSA-NSynonyms
4((3((Z)(2(ACETYLAMINO)4OXO13THIAZOL5(4H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((3((Z)(2ACETAMIDO4OXO13THIAZOL5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CC(=O)NC1=NC(=O)C(=CC2=CC(=CC=C2)OCC3=CC=C(C=C3)C(=O)O)S1
CC(=O)NC1=NC(=O)C(=Cc2cccc(c2)OCc2ccc(cc2)C(=O)O)S1
InChI=1SC20H16N2O5Sc112(23)21202218(24)17(2820)101432416(914)2711135715(8613)19(25)26h210H11H21H3(H2526)(H21222324)b1710
MFCD04127525
ZINC000003662763
ZINC3662763
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