Vitas-M small molecule compound
4-(4-bromophenyl)-1-(4-methoxyphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK605978
SMILES C=CCNC(=S)c1c(c2ccc(cc2)OC)c2c3n1cc(n3CCCC2)c1ccc(cc1)Br
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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(19-9-13-21(32-2)14-10-19)22-6-4-5-16-30-23(17-31(25)27(22)30)18-7-11-20(28)12-8-18/h3,7-14,17H,1,4-6,15-16H2,2H3,(H,29,33)InChIKey
YWDUWGKCNJEEGX-UHFFFAOYSA-NSynonyms
496796-99-74(4bromophenyl)1(4methoxyphenyl)N(prop2en1yl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
496796997
COC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)Br)C(=S)NCC=C
InChI=1SC27H26BrN3OSc13152926(33)2524(1991321(322)141019)22645163023(1731(25)27(22)30)1871120(28)12818h371417H1461516H22H3(H2933)
MFCD03298897
Nallyl4(4bromophenyl)1(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002304487
ZINC02304487
ZINC2304487
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