Vitas-M small molecule compound

1-(4-fluorophenyl)-N-(2-methylphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide

Catalog ID
STK783840
SMILES Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=S)Nc1ccccc1C)c1ccc(cc1)F

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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 C31H28FN3S MW 493.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28FN3S/c1-20-10-12-22(13-11-20)27-19-35-29(30(36)33-26-9-4-3-7-21(26)2)28(23-14-16-24(32)17-15-23)25-8-5-6-18-34(27)31(25)35/h3-4,7,9-17,19H,5-6,8,18H2,1-2H3,(H,33,36)
InChIKey
XMLWLBFFQYOPCX-UHFFFAOYSA-N
Synonyms
488714-97-2
1(4fluorophenyl)N(2methylphenyl)4(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
1(4fluorophenyl)N(otolyl)4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
488714972
CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)F)C(=S)NC6=CC=CC=C6C
InChI=1SC31H28FN3Sc120101222(131120)27193529(30(36)3326943721(26)2)28(23141624(32)171523)258561834(27)31(25)35h34791719H56818H212H3(H3336)
MFCD03290902
ZINC000002336319
ZINC02336319
ZINC2336319

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Available files

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