Vitas-M small molecule compound

N-(4-bromophenyl)-1-{[(4-bromophenyl)amino]methyl}-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide

Catalog ID
STK534671
SMILES COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccc(cc1)Br)nc3CNc1ccc(cc1)Br

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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 C30H27Br2N5OS MW 665.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27Br2N5OS/c1-38-24-15-5-19(6-16-24)27-25-4-2-3-17-36-26(18-33-22-11-7-20(31)8-12-22)35-37(30(25)36)28(27)29(39)34-23-13-9-21(32)10-14-23/h5-16,33H,2-4,17-18H2,1H3,(H,34,39)
InChIKey
IAHOGPZRRBQCFL-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)CNC5=CC=C(C=C5)Br)C(=S)NC6=CC=C(C=C6)Br
InChI=1SC30H27Br2N5OSc1382415519(61624)2725423173626(18332211720(31)81222)3537(30(25)36)28(27)29(39)342313921(32)101423h51633H241718H21H3(H3439)
MFCD02987418
N(4bromophenyl)1(((4bromophenyl)amino)methyl)4(4methoxyphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
N(4bromophenyl)4(((4bromophenyl)amino)methyl)1(4methoxyphenyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
ZINC000097999414
ZINC97999414

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Available files

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