Vitas-M small molecule compound
1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK534803
SMILES FC(Oc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccccc1)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 C30H24ClF2N3OS MW 548.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24ClF2N3OS/c31-21-11-9-20(10-12-21)26-24-8-4-5-17-35-25(19-6-2-1-3-7-19)18-36(29(24)35)27(26)28(38)34-22-13-15-23(16-14-22)37-30(32)33/h1-3,6-7,9-16,18,30H,4-5,8,17H2,(H,34,38)InChIKey
KORPDFOYCLSQOZ-UHFFFAOYSA-NSynonyms
1(4chlorophenyl)N(4(difluoromethoxy)phenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
C1CCN2C(=CN3C2=C(C1)C(=C3C(=S)NC4=CC=C(C=C4)OC(F)F)C5=CC=C(C=C5)Cl)C6=CC=CC=C6
InChI=1SC30H24ClF2N3OSc312111920(101221)2624845173525(196213719)1836(29(24)35)27(26)28(38)3422131523(161422)3730(32)33h13679161830H45817H2(H3438)
MFCD02252855
ZINC000001806220
ZINC01806220
ZINC1806220
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