Vitas-M small molecule compound
4-(4-bromophenyl)-N-(4-ethylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK567310
SMILES CCc1ccc(cc1)NC(=S)c1n2nc(n3c2c(c1c1ccc(cc1)Br)CCCC3)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 C30H27BrN4S MW 555.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27BrN4S/c1-2-20-11-17-24(18-12-20)32-29(36)27-26(21-13-15-23(31)16-14-21)25-10-6-7-19-34-28(33-35(27)30(25)34)22-8-4-3-5-9-22/h3-5,8-9,11-18H,2,6-7,10,19H2,1H3,(H,32,36)InChIKey
GPOKWUVDSKZLQO-UHFFFAOYSA-NSynonyms
1(4bromophenyl)N(4ethylphenyl)4phenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4bromophenyl)N(4ethylphenyl)1phenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
CCC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)Br
InChI=1SC30H27BrN4Sc1220111724(181220)3229(36)2726(21131523(31)161421)251067193428(3335(27)30(25)34)228435922h35891118H2671019H21H3(H3236)
MFCD03460416
ZINC000001898358
ZINC01898358
ZINC1898358
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