Vitas-M small molecule compound
(5Z)-5-[3-chloro-4-(prop-2-yn-1-yloxy)benzylidene]-3-propyl-2-thioxoimidazolidin-4-one
Catalog ID
STL375291
SMILES CCCN1C(=S)N/C(=C\c2ccc(c(c2)Cl)OCC#C)/C1=O
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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 C16H15ClN2O2S MW 334.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN2O2S/c1-3-7-19-15(20)13(18-16(19)22)10-11-5-6-14(12(17)9-11)21-8-4-2/h2,5-6,9-10H,3,7-8H2,1H3,(H,18,22)/b13-10-InChIKey
RBAVZCKUYZWGAI-RAXLEYEMSA-NSynonyms
(5Z)5((3CHLORO4PROP2YNOXYPHENYL)METHYLIDENE)3PROPYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(3chloro4(prop2yn1yloxy)benzylidene)3propyl2thioxoimidazolidin4one
CCCN1C(=O)C(=CC2=CC(=C(C=C2)OCC#C)Cl)NC1=S
CCCN1C(=S)NC(=Cc2ccc(c(c2)Cl)OCC#C)C1=O
InChI=1SC16H15ClN2O2Sc1371915(20)13(1816(19)22)10115614(12(17)911)21842h256910H378H21H3(H1822)b1310
MFCD04086908
ZINC000003667683
ZINC03667683
ZINC3667683
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