Vitas-M small molecule compound
N-benzyl-4-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK780973
SMILES Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=S)NCc1ccccc1)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 C31H29N3S MW 475.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3S/c1-22-15-17-24(18-16-22)27-21-34-29(30(35)32-20-23-10-4-2-5-11-23)28(25-12-6-3-7-13-25)26-14-8-9-19-33(27)31(26)34/h2-7,10-13,15-18,21H,8-9,14,19-20H2,1H3,(H,32,35)InChIKey
WFHLQQZTHPBMDN-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=CC=C5)C(=S)NCC6=CC=CC=C6
InChI=1SC31H29N3Sc122151724(181622)27213429(30(35)322023104251123)28(25126371325)2614891933(27)31(26)34h271013151821H89141920H21H3(H3235)
MFCD03301456
Nbenzyl4(4methylphenyl)1phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000012461972
ZINC12461972
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