Vitas-M small molecule compound
(2E)-N-{[2-(cyclohex-1-en-1-yl)ethyl]carbamothioyl}-3-phenylprop-2-enamide
Catalog ID
STL062493
SMILES S=C(NC(=O)/C=C/c1ccccc1)NCCC1=CCCCC1
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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 C18H22N2OS MW 314.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2OS/c21-17(12-11-15-7-3-1-4-8-15)20-18(22)19-14-13-16-9-5-2-6-10-16/h1,3-4,7-9,11-12H,2,5-6,10,13-14H2,(H2,19,20,21,22)/b12-11+InChIKey
LRKCZILLZBMNAW-VAWYXSNFSA-NSynonyms
(2E)N((2(cyclohex1en1yl)ethyl)carbamothioyl)3phenylprop2enamide
(E)N(2(CYCLOHEXEN1YL)ETHYLCARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
C1CCC(=CC1)CCNC(=S)NC(=O)C=CC2=CC=CC=C2
InChI=1SC18H22N2OSc2117(1211157314815)2018(22)1914131695261016h134791112H256101314H2(H219202122)b1211+
MFCD03586450
S=C(NC(=O)C=Cc1ccccc1)NCCC1=CCCCC1
ZINC000002551734
ZINC02551734
ZINC2551734
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