Vitas-M small molecule compound
methyl 4-{(E)-[(2E)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazolidin-5-ylidene]methyl}benzoate
Catalog ID
STK521456
SMILES COC(=O)c1ccc(cc1)/C=C\1/S/C(=N/c2cccc(c2)C(F)(F)F)/NC1=O
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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 C19H13F3N2O3S MW 406.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13F3N2O3S/c1-27-17(26)12-7-5-11(6-8-12)9-15-16(25)24-18(28-15)23-14-4-2-3-13(10-14)19(20,21)22/h2-10H,1H3,(H,23,24,25)/b15-9+InChIKey
FOMNLBOVNPCYDI-OQLLNIDSSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C=C2C(=O)N=C(S2)NC3=CC=CC(=C3)C(F)(F)F
COC(=O)c1ccc(cc1)C=C1SC(=Nc2cccc(c2)C(F)(F)F)NC1=O
InChI=1SC19H13F3N2O3Sc12717(26)127511(6812)91516(25)2418(2815)231442313(1014)19(2021)22h210H1H3(H232425)b159+
methyl4((E)((2E)4oxo2((3(trifluoromethyl)phenyl)imino)13thiazolidin5ylidene)methyl)benzoate
METHYL4((E)(4OXO2(3(TRIFLUOROMETHYL)ANILINO)13THIAZOL5YLIDENE)METHYL)BENZOATE
MFCD13370892
ZINC000005529621
ZINC05529621
ZINC5529621
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