Vitas-M small molecule compound
1-(4-bromophenyl)-4-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-2,3,8b-triazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STL271604
SMILES FC(Oc1ccc(cc1)c1nc2n3c1CCCCc3c(n2C(=S)Nc1cccc(c1)C)c1ccc(cc1)Br)F
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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 C30H25BrF2N4OS MW 607.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25BrF2N4OS/c1-18-5-4-6-22(17-18)34-30(39)37-27(20-9-13-21(31)14-10-20)25-8-3-2-7-24-26(35-29(37)36(24)25)19-11-15-23(16-12-19)38-28(32)33/h4-6,9-17,28H,2-3,7-8H2,1H3,(H,34,39)InChIKey
DXMSYFQXITYXST-UHFFFAOYSA-NSynonyms
1(4bromophenyl)4(4(difluoromethoxy)phenyl)N(3methylphenyl)5678tetrahydro2H238btriazacyclopenta(cd)azulene2carbothioamide
CC1=CC(=CC=C1)NC(=S)N2C(=C3CCCCC4=C(N=C2N43)C5=CC=C(C=C5)OC(F)F)C6=CC=C(C=C6)Br
InChI=1SC30H25BrF2N4OSc11854622(1718)3430(39)3727(2091321(31)141020)2583272426(3529(37)36(24)25)19111523(161219)3828(32)33h4691728H2378H21H3(H3439)
MFCD08548153
ZINC000101143345
ZINC101143345
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