Vitas-M small molecule compound
N-[2-methoxy-4-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]pentanamide
Catalog ID
STK038526
SMILES CCCCC(=O)Nc1ccc(cc1OC)NC(=S)NC(=O)/C=C/c1cccc(c1)[N+](=O)[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 C22H24N4O5S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O5S/c1-3-4-8-20(27)24-18-11-10-16(14-19(18)31-2)23-22(32)25-21(28)12-9-15-6-5-7-17(13-15)26(29)30/h5-7,9-14H,3-4,8H2,1-2H3,(H,24,27)(H2,23,25,28,32)/b12-9+InChIKey
BOEGGWBQUKKGDJ-FMIVXFBMSA-NSynonyms
CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O))OC
CCCCC(=O)Nc1ccc(cc1OC)NC(=S)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC22H24N4O5Sc134820(27)2418111016(1419(18)312)2322(32)2521(28)1291565717(1315)26(29)30h57914H348H212H3(H2427)(H223252832)b129+
MFCD03553193
N(2METHOXY4((((2E)3(3NITROPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)PHENYL)PENTANAMIDE
N(2METHOXY4(((E)3(3NITROPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)PHENYL)PENTANAMIDE
STK038526
ZINC000009246714
ZINC09246714
ZINC9246714
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