Vitas-M small molecule compound
4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK626201
SMILES CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1cccc(c1)C)nc3c1ccc(cc1)C
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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 C32H32N4S MW 504.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4S/c1-4-23-13-17-24(18-14-23)28-27-10-5-6-19-35-30(25-15-11-21(2)12-16-25)34-36(32(27)35)29(28)31(37)33-26-9-7-8-22(3)20-26/h7-9,11-18,20H,4-6,10,19H2,1-3H3,(H,33,37)InChIKey
IRVLHKUGIHDNBJ-UHFFFAOYSA-NSynonyms
540774-15-01(4ethylphenyl)N(mtolyl)4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4ethylphenyl)N(3methylphenyl)1(4methylphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540774150
CCC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)C5=CC=C(C=C5)C)C(=S)NC6=CC=CC(=C6)C
InChI=1SC32H32N4Sc1423131724(181423)28271056193530(25151121(2)121625)3436(32(27)35)29(28)31(37)332697822(3)2026h79111820H461019H213H3(H3337)
MFCD03460665
ZINC000002253873
ZINC02253873
ZINC2253873
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