Vitas-M small molecule compound
4-(4-bromophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK533114
SMILES C=CCNC(=S)c1c(c2ccc(cc2)Br)c2c3n1nc(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 C25H23BrN4S MW 491.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN4S/c1-2-15-27-24(31)22-21(17-11-13-19(26)14-12-17)20-10-6-7-16-29-23(28-30(22)25(20)29)18-8-4-3-5-9-18/h2-5,8-9,11-14H,1,6-7,10,15-16H2,(H,27,31)InChIKey
MTPHNGYZMAVQHP-UHFFFAOYSA-NSynonyms
4(4bromophenyl)1phenylN(prop2en1yl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
C=CCNC(=S)C1=C(C2=C3N1N=C(N3CCCC2)C4=CC=CC=C4)C5=CC=C(C=C5)Br
InChI=1SC25H23BrN4Sc12152724(31)2221(17111319(26)141217)201067162923(2830(22)25(20)29)188435918h25891114H167101516H2(H2731)
MFCD02073725
Nallyl1(4bromophenyl)4phenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
ZINC000001780659
ZINC01780659
ZINC1780659
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