Vitas-M small molecule compound
4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK771590
SMILES Cc1ccc(cc1)c1nn2c3n1CCCCc3c(c2C(=S)Nc1cc(C)ccc1C)c1ccc(cc1)Cl
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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 C31H29ClN4S MW 525.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN4S/c1-19-8-11-23(12-9-19)29-34-36-28(30(37)33-26-18-20(2)7-10-21(26)3)27(22-13-15-24(32)16-14-22)25-6-4-5-17-35(29)31(25)36/h7-16,18H,4-6,17H2,1-3H3,(H,33,37)InChIKey
WZWQJAIXTJVTAV-UHFFFAOYSA-NSynonyms
540774-28-51(4chlorophenyl)N(25dimethylphenyl)4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4chlorophenyl)N(25dimethylphenyl)1(4methylphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540774285
CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=C(C=CC(=C6)C)C
InChI=1SC31H29ClN4Sc11981123(12919)29343628(30(37)33261820(2)71021(26)3)27(22131524(32)161422)256451735(29)31(25)36h71618H4617H213H3(H3337)
MFCD03460692
ZINC000002246614
ZINC02246614
ZINC2246614
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