Vitas-M small molecule compound
(3E)-3-{2-[(4-tert-butylphenyl)carbonyl]hydrazinylidene}-N-(2-methoxy-4-nitrophenyl)butanamide
Catalog ID
STK104888
SMILES COc1cc(ccc1NC(=O)C/C(=N/NC(=O)c1ccc(cc1)C(C)(C)C)/C)[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 C22H26N4O5 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O5/c1-14(24-25-21(28)15-6-8-16(9-7-15)22(2,3)4)12-20(27)23-18-11-10-17(26(29)30)13-19(18)31-5/h6-11,13H,12H2,1-5H3,(H,23,27)(H,25,28)/b24-14+InChIKey
HPCSSCIULFKFKK-ZVHZXABRSA-NSynonyms
(3E)3(2((4TERTBUTYLPHENYL)CARBONYL)HYDRAZINYLIDENE)N(2METHOXY4NITROPHENYL)BUTANAMIDE
4tertbutylN((E)(4(2methoxy4nitroanilino)4oxobutan2ylidene)amino)benzamide
CC(=NNC(=O)C1=CC=C(C=C1)C(C)(C)C)CC(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))OC
COc1cc(ccc1NC(=O)CC(=NNC(=O)c1ccc(cc1)C(C)(C)C)C)(N+)(=O)(O)
InChI=1SC22H26N4O5c114(242521(28)156816(9715)22(23)4)1220(27)2318111017(26(29)30)1319(18)315h61113H12H215H3(H2327)(H2528)b2414+
MFCD01050056
ZINC000100564428
ZINC101508378
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