Vitas-M small molecule compound
N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
Catalog ID
STK649348
SMILES COCc1n[nH]/c(=N\C(=O)C2CC(=O)N(C2)c2cccc(c2)C(F)(F)F)/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 C16H15F3N4O3S MW 400.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15F3N4O3S/c1-26-8-12-21-22-15(27-12)20-14(25)9-5-13(24)23(7-9)11-4-2-3-10(6-11)16(17,18)19/h2-4,6,9H,5,7-8H2,1H3,(H,20,22,25)InChIKey
SPPMHOKIEOKWAE-UHFFFAOYSA-NSynonyms
1144478-34-11144478341
COCC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=CC(=C3)C(F)(F)F
COCc1n(nH)c(=NC(=O)C2CC(=O)N(C2)c2cccc(c2)C(F)(F)F)s1
InChI=1SC16H15F3N4O3Sc126812212215(2712)2014(25)9513(24)23(79)1142310(611)16(1718)19h2469H578H21H3(H202225)
MFCD18165244
N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)5oxo1(3(trifluoromethyl)phenyl)pyrrolidine3carboxamide
ZINC000031816074
ZINC000031816078
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