Vitas-M small molecule compound
1-(4-bromophenyl)-N-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK653503
SMILES Brc1ccc(cc1)c1c(C(=S)Nc2ccc(cc2)C)n2c3c1CCCCn3c(c2)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 C30H26BrN3S MW 540.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26BrN3S/c1-20-10-16-24(17-11-20)32-29(35)28-27(22-12-14-23(31)15-13-22)25-9-5-6-18-33-26(19-34(28)30(25)33)21-7-3-2-4-8-21/h2-4,7-8,10-17,19H,5-6,9,18H2,1H3,(H,32,35)InChIKey
IXJRSOMDJGFCSV-UHFFFAOYSA-NSynonyms
489440-72-41(4bromophenyl)4phenylN(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
1(4bromophenyl)N(4methylphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
489440724
CC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)Br
InChI=1SC30H26BrN3Sc120101624(171120)3229(35)2827(22121423(31)151322)25956183326(1934(28)30(25)33)217324821h2478101719H56918H21H3(H3235)
MFCD03297131
ZINC000002269409
ZINC2269409
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