Vitas-M small molecule compound
4-(4-chlorophenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK771587
SMILES Cc1ccc(cc1)c1nn2c3n1CCCCc3c(c2C(=S)Nc1cccc(c1)C)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 C30H27ClN4S MW 511.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN4S/c1-19-9-11-22(12-10-19)28-33-35-27(29(36)32-24-7-5-6-20(2)18-24)26(21-13-15-23(31)16-14-21)25-8-3-4-17-34(28)30(25)35/h5-7,9-16,18H,3-4,8,17H2,1-2H3,(H,32,36)InChIKey
FXDSRWJAUMOCGE-UHFFFAOYSA-NSynonyms
540774-24-11(4chlorophenyl)N(mtolyl)4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4chlorophenyl)N(3methylphenyl)1(4methylphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540774241
CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=CC(=C6)C
InChI=1SC30H27ClN4Sc11991122(121019)28333527(29(36)322475620(2)1824)26(21131523(31)161421)258341734(28)30(25)35h5791618H34817H212H3(H3236)
MFCD03460685
ZINC000002245930
ZINC02245930
ZINC2245930
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