Vitas-M small molecule compound
N-benzyl-1-{[(3-chloro-2-methylphenyl)amino]methyl}-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK687535
SMILES Cc1c(cccc1Cl)NCc1nn2c3n1CCCCc3c(c2C(=S)NCc1ccccc1)c1ccccc1
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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 C31H30ClN5S MW 540.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClN5S/c1-21-25(32)16-10-17-26(21)33-20-27-35-37-29(30(38)34-19-22-11-4-2-5-12-22)28(23-13-6-3-7-14-23)24-15-8-9-18-36(27)31(24)37/h2-7,10-14,16-17,33H,8-9,15,18-20H2,1H3,(H,34,38)InChIKey
NXPAOEUSXGKNFR-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1Cl)NCC2=NN3C(=C(C4=C3N2CCCC4)C5=CC=CC=C5)C(=S)NCC6=CC=CC=C6
InChI=1SC31H30ClN5Sc12125(32)16101726(21)332027353729(30(38)341922114251222)28(23136371423)2415891836(27)31(24)37h271014161733H89151820H21H3(H3438)
MFCD07657006
Nbenzyl1(((3chloro2methylphenyl)amino)methyl)4phenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
ZINC000098048341
ZINC98048341
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