Vitas-M small molecule compound
N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{(2E)-2-[4-(benzyloxy)-3-methoxybenzylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Catalog ID
STK001136
SMILES COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OCc1ccccc1
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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 C32H27N3O6 MW 549.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N3O6/c1-38-29-18-24(13-15-27(29)39-20-22-8-4-2-5-9-22)19-33-35-32(37)26(34-31(36)25-10-6-3-7-11-25)16-23-12-14-28-30(17-23)41-21-40-28/h2-19H,20-21H2,1H3,(H,34,36)(H,35,37)/b26-16+,33-19+InChIKey
OCJQTMPTNFMIPI-XRXCVBNQSA-NSynonyms
COC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5
COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OCc1ccccc1
InChI=1SC32H27N3O6c138291824(131527(29)3920228425922)19333532(37)26(3431(36)25106371125)162312142830(1723)41214028h219H2021H21H3(H3436)(H3537)b2616+3319+
MFCD01129446
N((1E)1(13BENZODIOXOL5YL)3((2E)2(4(BENZYLOXY)3METHOXYBENZYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
N((E)1(13benzodioxol5yl)3((2E)2((3methoxy4phenylmethoxyphenyl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
STK001136
ZINC000097957737
ZINC101373142
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