Vitas-M small molecule compound
(2E)-3-(4-fluorophenyl)-N-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonothioyl}prop-2-enamide
Catalog ID
STK546622
SMILES COc1ccccc1N1CCN(CC1)C(=S)NC(=O)/C=C/c1ccc(cc1)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 C21H22FN3O2S MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O2S/c1-27-19-5-3-2-4-18(19)24-12-14-25(15-13-24)21(28)23-20(26)11-8-16-6-9-17(22)10-7-16/h2-11H,12-15H2,1H3,(H,23,26,28)/b11-8+InChIKey
WZWQBYVJNLVVNB-DHZHZOJOSA-NSynonyms
797797-79-6(2E)3(4fluorophenyl)N((4(2methoxyphenyl)piperazin1yl)carbonothioyl)prop2enamide
(E)3(4fluorophenyl)N(4(2methoxyphenyl)piperazine1carbonothioyl)acrylamide
(E)3(4FLUOROPHENYL)N(4(2METHOXYPHENYL)PIPERAZINE1CARBOTHIOYL)ACRYLAMIDE
(E)3(4FLUOROPHENYL)N(4(2METHOXYPHENYL)PIPERAZINE1CARBOTHIOYL)PROP2ENAMIDE
797797796
COC1=CC=CC=C1N2CCN(CC2)C(=S)NC(=O)C=CC3=CC=C(C=C3)F
COc1ccccc1N1CCN(CC1)C(=S)NC(=O)C=Cc1ccc(cc1)F
InChI=1SC21H22FN3O2Sc12719532418(19)24121425(151324)21(28)2320(26)118166917(22)10716h211H1215H21H3(H232628)b118+
MFCD03667834
ZINC000002195356
ZINC02195356
ZINC2195356
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.