Vitas-M small molecule compound
2,2,2-trifluoroethyl (2E)-4-(cyclohexylamino)-4-oxobut-2-enoate
Catalog ID
STK499530
SMILES O=C(NC1CCCCC1)/C=C/C(=O)OCC(F)(F)F
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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 C12H16F3NO3 MW 279.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16F3NO3/c13-12(14,15)8-19-11(18)7-6-10(17)16-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,16,17)/b7-6+InChIKey
PTDMZYJTGGKMMR-VOTSOKGWSA-NSynonyms
222trifluoroethyl(2E)4(cyclohexylamino)4oxobut2enoate
222trifluoroethyl(E)4(cyclohexylamino)4oxobut2enoate
C1CCC(CC1)NC(=O)C=CC(=O)OCC(F)(F)F
InChI=1SC12H16F3NO3c1312(1415)81911(18)7610(17)169421359h679H158H2(H1617)b76+
MFCD01647658
O=C(NC1CCCCC1)C=CC(=O)OCC(F)(F)F
ZINC000032581160
ZINC32581160
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