Vitas-M small molecule compound
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK544071
SMILES CCOc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)Br)c2c3n1cc(n3CCCC2)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 C31H28BrN3OS MW 570.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrN3OS/c1-2-36-25-17-15-24(16-18-25)33-30(37)29-28(22-11-13-23(32)14-12-22)26-10-6-7-19-34-27(20-35(29)31(26)34)21-8-4-3-5-9-21/h3-5,8-9,11-18,20H,2,6-7,10,19H2,1H3,(H,33,37)InChIKey
KYHOSAIBQXZRCK-UHFFFAOYSA-NSynonyms
1(4bromophenyl)N(4ethoxyphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
CCOC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)Br
InChI=1SC31H28BrN3OSc123625171524(161825)3330(37)2928(22111323(32)141222)261067193427(2035(29)31(26)34)218435921h3589111820H2671019H21H3(H3337)
MFCD02073629
ZINC000001830726
ZINC01830726
ZINC1830726
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