Vitas-M small molecule compound
4-methoxy-N-(1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
Catalog ID
STK186817
SMILES COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)Nc1cccc(c1)C(F)(F)F)C
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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 C22H22F3N5O3S MW 493.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N5O3S/c1-13(26-20(32)14-7-9-17(33-3)10-8-14)19-28-29-21(30(19)2)34-12-18(31)27-16-6-4-5-15(11-16)22(23,24)25/h4-11,13H,12H2,1-3H3,(H,26,32)(H,27,31)InChIKey
CMRZKMUNIHVHMN-UHFFFAOYSA-NSynonyms
4METHOXYN(1(4METHYL5((2OXO2((3(TRIFLUOROMETHYL)PHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4METHOXYN(1(4METHYL5(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=CC=C(C=C3)OC
InChI=1SC22H22F3N5O3Sc113(2620(32)147917(333)10814)19282921(30(19)2)341218(31)271664515(1116)22(2324)25h41113H12H213H3(H2632)(H2731)
MFCD05998993
ZINC000002867136
ZINC000002867137
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