Vitas-M small molecule compound

N-[(1Z)-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide

Catalog ID
STK630550
SMILES COc1ccc(cc1)C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)NCCc1nc2c([nH]1)cccc2

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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 C27H24N4O5 MW 484.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O5/c1-34-19-9-7-18(8-10-19)26(32)31-22(14-17-6-11-23-24(15-17)36-16-35-23)27(33)28-13-12-25-29-20-4-2-3-5-21(20)30-25/h2-11,14-15H,12-13,16H2,1H3,(H,28,33)(H,29,30)(H,31,32)/b22-14-
InChIKey
MCXALPGUBHKYTE-HMAPJEAMSA-N
Synonyms
1164520-72-2
(Z)N(3((2(1Hbenzo(d)imidazol2yl)ethyl)amino)1(benzo(d)(13)dioxol5yl)3oxoprop1en2yl)4methoxybenzamide
1164520722
COC1=CC=C(C=C1)C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)NCCC4=NC5=CC=CC=C5N4
COc1ccc(cc1)C(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)NCCc1nc2c((nH)1)cccc2
InChI=1SC27H24N4O5c134199718(81019)26(32)3122(14176112324(1517)36163523)27(33)281312252920423521(20)3025h2111415H121316H21H3(H2833)(H2930)(H3132)b2214
MFCD04182316
N((1Z)3((2(1Hbenzimidazol2yl)ethyl)amino)1(13benzodioxol5yl)3oxoprop1en2yl)4methoxybenzamide
N((Z)2BENZO(13)DIOXOL5YL1(2(1HBENZOIMIDAZOL2YL)ETHYLCARBAMOYL)VINYL)4METHOXYBENZAMIDE
N((Z)3(2(1HBENZIMIDAZOL2YL)ETHYLAMINO)1(13BENZODIOXOL5YL)3OXOPROP1EN2YL)4METHOXYBENZAMIDE
ZINC000008684712
ZINC08684712
ZINC8684712

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Available files

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