Vitas-M small molecule compound

2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylpropanamide

Catalog ID
STK557052
SMILES CC(=C)Cn1c(SC(C(=O)Nc2ccccc2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

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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 C30H33N3O2S MW 499.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O2S/c1-20(2)19-33-28(35)25-26(24-15-9-8-12-22(24)18-30(25)16-10-5-11-17-30)32-29(33)36-21(3)27(34)31-23-13-6-4-7-14-23/h4,6-9,12-15,21H,1,5,10-11,16-19H2,2-3H3,(H,31,34)
InChIKey
WTULGRSMDSLLSZ-UHFFFAOYSA-N
Synonyms
577989-67-4
2((3(2methylallyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)Nphenylpropanamide
2((3(2methylprop2en1yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)Nphenylpropanamide
2(3(2METHYLPROP2ENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNPHENYLPROPANAMIDE
577989674
CC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C(=O)N2CC(=C)C)C4(CCCCC4)CC5=CC=CC=C53
InChI=1SC30H33N3O2Sc120(2)193328(35)2526(2415981222(24)1830(25)16105111730)3229(33)3621(3)27(34)3123136471423h469121521H1510111619H223H3(H3134)
MFCD04022331
ZINC000002349451
ZINC000002349453

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Available files

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