Vitas-M small molecule compound

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

Catalog ID
STK569777
SMILES COc1ccc(cc1)NC(=S)c1n2cc(n3c2c(c1c1ccc(cc1)Br)CCCC3)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 C30H26BrN3OS MW 556.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26BrN3OS/c1-35-24-16-14-23(15-17-24)32-29(36)28-27(21-10-12-22(31)13-11-21)25-9-5-6-18-33-26(19-34(28)30(25)33)20-7-3-2-4-8-20/h2-4,7-8,10-17,19H,5-6,9,18H2,1H3,(H,32,36)
InChIKey
XFPOUPRIFZMTSC-UHFFFAOYSA-N
Synonyms

1(4bromophenyl)N(4methoxyphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
COC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)Br
InChI=1SC30H26BrN3OSc13524161423(151724)3229(36)2827(21101222(31)131121)25956183326(1934(28)30(25)33)207324820h2478101719H56918H21H3(H3236)
MFCD02073609
ZINC000001869064
ZINC01869064
ZINC1869064

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Available files

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