Vitas-M small molecule compound
(5Z)-3-cyclohexyl-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-thioxoimidazolidin-4-one
Catalog ID
STL375260
SMILES O=C1/C(=C/c2cc(n(c2C)c2ccc(cc2)[N+](=O)[O-])C)/NC(=S)N1C1CCCCC1
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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 C22H24N4O3S MW 424.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O3S/c1-14-12-16(15(2)24(14)18-8-10-19(11-9-18)26(28)29)13-20-21(27)25(22(30)23-20)17-6-4-3-5-7-17/h8-13,17H,3-7H2,1-2H3,(H,23,30)/b20-13-InChIKey
DGVYGUBMBQVGHW-MOSHPQCFSA-NSynonyms
(5Z)3cyclohexyl5((25dimethyl1(4nitrophenyl)1Hpyrrol3yl)methylidene)2thioxoimidazolidin4one
(5Z)3CYCLOHEXYL5((25DIMETHYL1(4NITROPHENYL)PYRROL3YL)METHYLIDENE)2SULFANYLIDENEIMIDAZOLIDIN4ONE
CC1=CC(=C(N1C2=CC=C(C=C2)(N+)(=O)(O))C)C=C3C(=O)N(C(=S)N3)C4CCCCC4
InChI=1SC22H24N4O3Sc1141216(15(2)24(14)1881019(11918)26(28)29)132021(27)25(22(30)2320)176435717h81317H37H212H3(H2330)b2013
MFCD04086949
O=C1C(=Cc2cc(n(c2C)c2ccc(cc2)(N+)(=O)(O))C)NC(=S)N1C1CCCCC1
ZINC000003667621
ZINC03667621
ZINC19804941
ZINC3667621
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