Vitas-M small molecule compound
N,1-bis(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK660685
SMILES COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=S)Nc1ccc(cc1)Cl)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 C30H25Cl2N3OS MW 546.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25Cl2N3OS/c1-36-24-15-7-19(8-16-24)26-18-35-28(29(37)33-23-13-11-22(32)12-14-23)27(20-5-9-21(31)10-6-20)25-4-2-3-17-34(26)30(25)35/h5-16,18H,2-4,17H2,1H3,(H,33,37)InChIKey
GOEZQWLKAUCDKL-UHFFFAOYSA-NSynonyms
489416-11-7489416117
COC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=C(C=C6)Cl
InChI=1SC30H25Cl2N3OSc1362415719(81624)26183528(29(37)3323131122(32)121423)27(205921(31)10620)254231734(26)30(25)35h51618H2417H21H3(H3337)
MFCD03296553
N1bis(4chlorophenyl)4(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000097951595
ZINC97951595
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