Vitas-M small molecule compound
2-{[3-(2-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylpropanamide
Catalog ID
STL441050
SMILES CC(C(=O)Nc1ccccc1)Sc1nc2c3ccccc3CC3(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 C33H33N3O2S MW 535.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O2S/c1-22-13-7-10-18-27(22)36-31(38)28-29(26-17-9-8-14-24(26)21-33(28)19-11-4-12-20-33)35-32(36)39-23(2)30(37)34-25-15-5-3-6-16-25/h3,5-10,13-18,23H,4,11-12,19-21H2,1-2H3,(H,34,37)InChIKey
JAAAFDYIEICBDR-UHFFFAOYSA-NSynonyms
2((3(2methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)Nphenylpropanamide
2(3(2METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNPHENYLPROPANAMIDE
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC(C)C(=O)NC6=CC=CC=C6
InChI=1SC33H33N3O2Sc122137101827(22)3631(38)2829(2617981424(26)2133(28)19114122033)3532(36)3923(2)30(37)3425155361625h3510131823H411121921H212H3(H3437)
MFCD06243775
ZINC000003771715
ZINC000003771716
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