Vitas-M small molecule compound

4-(4-chlorophenyl)-N-(2-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide

Catalog ID
STL006287
SMILES Cc1ccc(cc1)c1nn2c3n1CCCCc3c(c2C(=S)Nc1ccccc1C)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/c1-19-10-12-22(13-11-19)28-33-35-27(29(36)32-25-9-4-3-7-20(25)2)26(21-14-16-23(31)17-15-21)24-8-5-6-18-34(28)30(24)35/h3-4,7,9-17H,5-6,8,18H2,1-2H3,(H,32,36)
InChIKey
RTJMEPLUUGSZQB-UHFFFAOYSA-N
Synonyms
540774-29-6
1(4chlorophenyl)N(otolyl)4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4chlorophenyl)N(2methylphenyl)1(4methylphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540774296
CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=CC=C6C
InChI=1SC30H27ClN4Sc119101222(131119)28333527(29(36)3225943720(25)2)26(21141623(31)171521)248561834(28)30(24)35h347917H56818H212H3(H3236)
MFCD03460694
ZINC000002251850
ZINC02251850
ZINC2251850

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Available files

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