Vitas-M small molecule compound
4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Catalog ID
STK591589
SMILES CCOc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccccc1)c1ccc(cc1)OC
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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 C32H31N3O3 MW 505.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O3/c1-3-38-26-18-12-22(13-19-26)28-21-35-30(31(36)33-24-9-5-4-6-10-24)29(23-14-16-25(37-2)17-15-23)27-11-7-8-20-34(28)32(27)35/h4-6,9-10,12-19,21H,3,7-8,11,20H2,1-2H3,(H,33,36)InChIKey
JMKFIRCLDGUZPQ-UHFFFAOYSA-NSynonyms
896168-66-44(4ethoxyphenyl)1(4methoxyphenyl)Nphenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
896168664
CCOC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=O)NC6=CC=CC=C6
InChI=1SC32H31N3O3c133826181222(131926)28213530(31(36)332495461024)29(23141625(372)171523)2711782034(28)32(27)35h46910121921H3781120H212H3(H3336)
MFCD06610061
ZINC000002347534
ZINC02347534
ZINC2347534
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