Vitas-M small molecule compound

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

Catalog ID
STK570323
SMILES Brc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1c(C)cccc1C)cc3c1ccccc1

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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 C31H28BrN3S MW 554.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrN3S/c1-20-9-8-10-21(2)28(20)33-30(36)29-27(23-14-16-24(32)17-15-23)25-13-6-7-18-34-26(19-35(29)31(25)34)22-11-4-3-5-12-22/h3-5,8-12,14-17,19H,6-7,13,18H2,1-2H3,(H,33,36)
InChIKey
DXEWMNADHGLAJT-UHFFFAOYSA-N
Synonyms

1(4bromophenyl)N(26dimethylphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
CC1=C(C(=CC=C1)C)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)Br
InChI=1SC31H28BrN3Sc120981021(2)28(20)3330(36)2927(23141624(32)171523)251367183426(1935(29)31(25)34)22114351222h35812141719H671318H212H3(H3336)
MFCD03304344
ZINC000002591546
ZINC2591546

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Available files

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