Vitas-M small molecule compound

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

Catalog ID
STL005428
SMILES Brc1ccc(cc1)c1nn2c3n1CCCCc3c(c2C(=S)Nc1cccc(c1)C)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 C29H25BrN4S MW 541.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25BrN4S/c1-19-8-7-11-23(18-19)31-28(35)26-25(20-9-3-2-4-10-20)24-12-5-6-17-33-27(32-34(26)29(24)33)21-13-15-22(30)16-14-21/h2-4,7-11,13-16,18H,5-6,12,17H2,1H3,(H,31,35)
InChIKey
ONVZPZBTOWOWKM-UHFFFAOYSA-N
Synonyms
328020-98-0
1(4bromophenyl)N(3methylphenyl)4phenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
328020980
4(4bromophenyl)1phenylN(mtolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
CC1=CC(=CC=C1)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)C5=CC=C(C=C5)Br)C6=CC=CC=C6
InChI=1SC29H25BrN4Sc119871123(1819)3128(35)2625(2093241020)241256173327(3234(26)29(24)33)21131522(30)161421h24711131618H561217H21H3(H3135)
MFCD02660251
ZINC000002258187
ZINC2258187

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Available files

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