Vitas-M small molecule compound
1-(4-bromophenyl)-4-(4-methoxyphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK616360
SMILES C=CCNC(=S)c1c(c2ccc(cc2)Br)c2c3n1cc(n3CCCC2)c1ccc(cc1)OC
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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 C27H26BrN3OS MW 520.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN3OS/c1-3-15-29-26(33)25-24(19-7-11-20(28)12-8-19)22-6-4-5-16-30-23(17-31(25)27(22)30)18-9-13-21(32-2)14-10-18/h3,7-14,17H,1,4-6,15-16H2,2H3,(H,29,33)InChIKey
NBKHGHYJOAFULO-UHFFFAOYSA-NSynonyms
488823-92-31(4bromophenyl)4(4methoxyphenyl)N(prop2en1yl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
488823923
COC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Br)C(=S)NCC=C
InChI=1SC27H26BrN3OSc13152926(33)2524(1971120(28)12819)22645163023(1731(25)27(22)30)1891321(322)141018h371417H1461516H22H3(H2933)
MFCD03293794
Nallyl1(4bromophenyl)4(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002366350
ZINC02366350
ZINC2366350
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