Vitas-M small molecule compound

4-(4-bromophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide

Catalog ID
STK721902
SMILES C=CCNC(=S)c1c(c2ccccc2)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 C26H24BrN3S MW 490.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrN3S/c1-2-15-28-25(31)24-23(19-8-4-3-5-9-19)21-10-6-7-16-29-22(17-30(24)26(21)29)18-11-13-20(27)14-12-18/h2-5,8-9,11-14,17H,1,6-7,10,15-16H2,(H,28,31)
InChIKey
SSGDFJHLODOFJC-UHFFFAOYSA-N
Synonyms
300568-57-4
300568574
4(4bromophenyl)1phenylN(prop2en1yl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
C=CCNC(=S)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)Br)C5=CC=CC=C5
InChI=1SC26H24BrN3Sc12152825(31)2423(198435919)211067162922(1730(24)26(21)29)18111320(27)141218h2589111417H167101516H2(H2831)
MFCD01419446
Nallyl4(4bromophenyl)1phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000001833640
ZINC01833640
ZINC1833640

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Available files

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