Vitas-M small molecule compound
N-cyclohexyl-2-[3-(2-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]hydrazinecarbothioamide
Catalog ID
STK531713
SMILES S=C(NC1CCCCC1)NNc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3
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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 C31H37N5OS MW 527.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N5OS/c1-21-12-6-9-17-25(21)36-28(37)26-27(33-29(36)34-35-30(38)32-23-14-4-2-5-15-23)24-16-8-7-13-22(24)20-31(26)18-10-3-11-19-31/h6-9,12-13,16-17,23H,2-5,10-11,14-15,18-20H2,1H3,(H,33,34)(H2,32,35,38)InChIKey
JSYCFVYZLDJKKS-UHFFFAOYSA-NSynonyms
1CYCLOHEXYL3((3(2METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)AMINO)THIOUREA
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2NNC(=S)NC6CCCCC6
InChI=1SC31H37N5OSc12112691725(21)3628(37)2627(3329(36)343530(38)3223144251523)2416871322(24)2031(26)18103111931h691213161723H25101114151820H21H3(H3334)(H2323538)
MFCD02238778
Ncyclohexyl2(3(2methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)hydrazinecarbothioamide
Ncyclohexyl2(4oxo3(otolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)hydrazinecarbothioamide
ZINC000002296596
ZINC02296596
ZINC2296596
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