Vitas-M small molecule compound
1-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Catalog ID
STL055854
SMILES COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccccc1OC)c1ccc(c(c1)C)C
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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 C33H33N3O3 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O3/c1-21-12-13-24(19-22(21)2)30-26-9-7-8-18-35-28(23-14-16-25(38-3)17-15-23)20-36(33(26)35)31(30)32(37)34-27-10-5-6-11-29(27)39-4/h5-6,10-17,19-20H,7-9,18H2,1-4H3,(H,34,37)InChIKey
FBVWDIBRBFEFGQ-UHFFFAOYSA-NSynonyms
896169-95-21(34dimethylphenyl)N(2methoxyphenyl)4(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
896169952
CC1=C(C=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)OC)C(=O)NC6=CC=CC=C6OC)C
InChI=1SC33H33N3O3c121121324(1922(21)2)3026978183528(23141625(383)171523)2036(33(26)35)31(30)32(37)342710561129(27)394h5610171920H7918H214H3(H3437)
MFCD06609684
ZINC000002346140
ZINC02346140
ZINC2346140
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