Vitas-M small molecule compound
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea
Catalog ID
STL330630
SMILES O=C(NC(C(F)(F)F)(C(F)(F)F)C)Nc1n[nH]cn1
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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 C7H7F6N5O MW 291.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H7F6N5O/c1-5(6(8,9)10,7(11,12)13)17-4(19)16-3-14-2-15-18-3/h2H,1H3,(H3,14,15,16,17,18,19)InChIKey
XCHNHDGNBWXKID-UHFFFAOYSA-NSynonyms
1(111333hexafluoro2methylpropan2yl)3(1H124triazol3yl)urea
1(111333hexafluoro2methylpropan2yl)3(1H124triazol5yl)urea
CC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NC=NN1
InChI=1SC7H7F6N5Oc15(6(89)107(1112)13)174(19)16314215183h2H1H3(H3141516171819)
MFCD00575447
O=C(NC(C(F)(F)F)(C(F)(F)F)C)Nc1n(nH)cn1
ZINC000005669144
ZINC5669144
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