Vitas-M small molecule compound

({5-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid

Catalog ID
STK807653
SMILES COc1cc(ccc1OC)c1nnc(n1c1cccc(c1)C(F)(F)F)SCC(=O)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 C19H16F3N3O4S MW 439.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16F3N3O4S/c1-28-14-7-6-11(8-15(14)29-2)17-23-24-18(30-10-16(26)27)25(17)13-5-3-4-12(9-13)19(20,21)22/h3-9H,10H2,1-2H3,(H,26,27)
InChIKey
LOMKQJHGFDZSCK-UHFFFAOYSA-N
Synonyms

((5(34dimethoxyphenyl)4(3(trifluoromethyl)phenyl)4H124triazol3yl)sulfanyl)aceticacid
2((5(34dimethoxyphenyl)4(3(trifluoromethyl)phenyl)124triazol3yl)sulfanyl)aceticacid
2(5(34DIMETHOXYPHENYL)4(3(TRIFLUOROMETHYL)PHENYL)124TRIAZOL3YLTHIO)ACETICACID
COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC(=O)O)OC
InChI=1SC19H16F3N3O4Sc128147611(815(14)292)17232418(301016(26)27)25(17)1353412(913)19(2021)22h39H10H212H3(H2627)
MFCD05719011
ZINC000001060257
ZINC1060257

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Available files

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