Vitas-M small molecule compound
1-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Catalog ID
STL040668
SMILES COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)OC)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/c1-21-11-12-24(18-22(21)2)30-28-10-5-6-17-35-29(23-13-15-26(38-3)16-14-23)20-36(33(28)35)31(30)32(37)34-25-8-7-9-27(19-25)39-4/h7-9,11-16,18-20H,5-6,10,17H2,1-4H3,(H,34,37)InChIKey
VRTYUNUIFQDURK-UHFFFAOYSA-NSynonyms
896169-98-51(34dimethylphenyl)N(3methoxyphenyl)4(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
896169985
CC1=C(C=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)OC)C(=O)NC6=CC(=CC=C6)OC)C
InChI=1SC33H33N3O3c121111224(1822(21)2)30281056173529(23131526(383)161423)2036(33(28)35)31(30)32(37)342587927(1925)394h7911161820H561017H214H3(H3437)
MFCD06613727
ZINC000002364295
ZINC02364295
ZINC2364295
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