Vitas-M small molecule compound
1-(4-bromophenyl)-4-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STL042849
SMILES COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=S)Nc1ccc(cc1)C)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 C31H28BrN3OS MW 570.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrN3OS/c1-20-6-14-24(15-7-20)33-30(37)29-28(22-8-12-23(32)13-9-22)26-5-3-4-18-34-27(19-35(29)31(26)34)21-10-16-25(36-2)17-11-21/h6-17,19H,3-5,18H2,1-2H3,(H,33,37)InChIKey
JXOXISXZPNCOID-UHFFFAOYSA-NSynonyms
1(4bromophenyl)4(4methoxyphenyl)N(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
1(4bromophenyl)4(4methoxyphenyl)N(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
CC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)Br
InChI=1SC31H28BrN3OSc12061424(15720)3330(37)2928(2281223(32)13922)26534183427(1935(29)31(26)34)21101625(362)171121h61719H3518H212H3(H3337)
MFCD03287008
ZINC000001758188
ZINC01758188
ZINC1758188
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