Vitas-M small molecule compound
N-[(1E)-3-{(2E)-2-[(2Z)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-ylidene]hydrazinyl}-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Catalog ID
STK150775
SMILES COc1ccc(cc1OC)/C=C(\C(=O)N/N=C/C=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1
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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 C28H25N3O6 MW 499.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O6/c1-34-23-12-11-20(17-25(23)35-2)15-22(30-27(32)21-8-4-3-5-9-21)28(33)31-29-14-6-7-19-10-13-24-26(16-19)37-18-36-24/h3-17H,18H2,1-2H3,(H,30,32)(H,31,33)/b7-6-,22-15+,29-14+InChIKey
UJJRTLVVGSCVMS-SDQQTPBOSA-NSynonyms
(2E)N(4(2HBENZO(34D)13DIOXOLAN5YL)(3Z1E)1AZABUTA13DIENYL)3(34DIMETHOXYPHENYL)2(PHENYLCARBONYLAMINO)PROP2ENAMIDE
COC1=C(C=C(C=C1)C=C(C(=O)NN=CC=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OC
COc1ccc(cc1OC)C=C(C(=O)NN=CC=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
InChI=1SC28H25N3O6c13423121120(1725(23)352)1522(3027(32)218435921)28(33)312914671910132426(1619)37183624h317H18H212H3(H3032)(H3133)b762215+2914+
MFCD01146854
N((1E)3((2E)2((2Z)3(13BENZODIOXOL5YL)PROP2EN1YLIDENE)HYDRAZINYL)1(34DIMETHOXYPHENYL)3OXOPROP1EN2YL)BENZAMIDE
N((E)3((2E)2((Z)3(13benzodioxol5yl)prop2enylidene)hydrazinyl)1(34dimethoxyphenyl)3oxoprop1en2yl)benzamide
ZINC000004150619
ZINC36046881
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.