Vitas-M small molecule compound

Catalog ID
STK527453
SMILES O=C(Nc1cccc(c1)C(F)(F)F)NNC(=O)C1[C@@H]2[C@H]1CCCC2

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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 C16H18F3N3O2 MW 341.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18F3N3O2/c17-16(18,19)9-4-3-5-10(8-9)20-15(24)22-21-14(23)13-11-6-1-2-7-12(11)13/h3-5,8,11-13H,1-2,6-7H2,(H,21,23)(H2,20,22,24)/t11-,12+,13?
InChIKey
REVQHYWESAEDKU-FUNVUKJBSA-N
Synonyms
1212070-06-8
1(((1S6R)BICYCLO(410)HEPTANE7CARBONYL)AMINO)3(3(TRIFLUOROMETHYL)PHENYL)UREA
1212070068
2((1R6S7r)bicyclo(410)heptane7carbonyl)N(3(trifluoromethyl)phenyl)hydrazinecarboxamide
C1CCC2C(C1)C2C(=O)NNC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI=1SC16H18F3N3O2c1716(1819)943510(89)2015(24)222114(23)1311612712(11)13h3581113H1267H2(H2123)(H2202224)t1112+13?
MFCD01943616
O=C(Nc1cccc(c1)C(F)(F)F)NNC(=O)C1(C@@H)2(C@H)1CCCC2
ZINC000217441107
ZINC000245327790
ZINC18068272
ZINC217441107

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.