Vitas-M small molecule compound
N-benzyl-1-[(4-chlorophenoxy)methyl]-4-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK687542
SMILES Clc1ccc(cc1)OCc1nn2c3n1CCCCc3c(c2C(=S)NCc1ccccc1)c1ccc(c(c1)Cl)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 C30H25Cl3N4OS MW 595.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25Cl3N4OS/c31-21-10-12-22(13-11-21)38-18-26-35-37-28(29(39)34-17-19-6-2-1-3-7-19)27(20-9-14-24(32)25(33)16-20)23-8-4-5-15-36(26)30(23)37/h1-3,6-7,9-14,16H,4-5,8,15,17-18H2,(H,34,39)InChIKey
AVMABHIHDJSKPB-UHFFFAOYSA-NSynonyms
C1CCN2C(=NN3C2=C(C1)C(=C3C(=S)NCC4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl)COC6=CC=C(C=C6)Cl
InChI=1SC30H25Cl3N4OSc3121101222(131121)381826353728(29(39)3417196213719)27(2091424(32)25(33)1620)238451536(26)30(23)37h136791416H458151718H2(H3439)
MFCD07021543
Nbenzyl1((4chlorophenoxy)methyl)4(34dichlorophenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
ZINC000098008382
ZINC98008382
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