Vitas-M small molecule compound
4-(4-chlorophenyl)-1-{[(4-fluorophenyl)amino]methyl}-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK679570
SMILES Fc1ccc(cc1)NCc1nn2c3n1CCCCc3c(c2C(=S)Nc1ccccc1)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 C29H25ClFN5S MW 530.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClFN5S/c30-20-11-9-19(10-12-20)26-24-8-4-5-17-35-25(18-32-22-15-13-21(31)14-16-22)34-36(29(24)35)27(26)28(37)33-23-6-2-1-3-7-23/h1-3,6-7,9-16,32H,4-5,8,17-18H2,(H,33,37)InChIKey
RTTQKENVTLFPEX-UHFFFAOYSA-NSynonyms
4(4chlorophenyl)1(((4fluorophenyl)amino)methyl)Nphenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
C1CCN2C(=NN3C2=C(C1)C(=C3C(=S)NC4=CC=CC=C4)C5=CC=C(C=C5)Cl)CNC6=CC=C(C=C6)F
InChI=1SC29H25ClFN5Sc302011919(101220)2624845173525(183222151321(31)141622)3436(29(24)35)27(26)28(37)33236213723h136791632H4581718H2(H3337)
MFCD03494023
ZINC000002192567
ZINC2192567
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