Vitas-M small molecule compound
1-(4-chlorophenyl)-N-(3-methoxyphenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Catalog ID
STK598466
SMILES COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)OC)c1ccc(cc1)Cl
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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 C31H28ClN3O3 MW 526.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O3/c1-37-24-15-11-20(12-16-24)27-19-35-29(30(36)33-23-6-5-7-25(18-23)38-2)28(21-9-13-22(32)14-10-21)26-8-3-4-17-34(27)31(26)35/h5-7,9-16,18-19H,3-4,8,17H2,1-2H3,(H,33,36)InChIKey
SURSGABDBFCIGM-UHFFFAOYSA-NSynonyms
896167-49-01(4chlorophenyl)N(3methoxyphenyl)4(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
896167490
COC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=O)NC6=CC(=CC=C6)OC
InChI=1SC31H28ClN3O3c13724151120(121624)27193529(30(36)332365725(1823)382)28(2191322(32)141021)268341734(27)31(26)35h579161819H34817H212H3(H3336)
MFCD06597469
ZINC000002209647
ZINC02209647
ZINC2209647
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