Vitas-M small molecule compound
N-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Catalog ID
STK532019
SMILES COc1ccc(cc1)n1c(SCC(=O)NC2=C(C#N)C3(Cc4c2cccc4)CCCC3)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 C41H40N4O3S MW 668.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H40N4O3S/c1-48-30-17-15-29(16-18-30)45-38(47)35-37(32-14-6-4-12-28(32)24-41(35)21-7-2-8-22-41)44-39(45)49-26-34(46)43-36-31-13-5-3-11-27(31)23-40(33(36)25-42)19-9-10-20-40/h3-6,11-18H,2,7-10,19-24,26H2,1H3,(H,43,46)InChIKey
XQDPPMOPTDALAS-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)NC6=C(C7(CCCC7)CC8=CC=CC=C86)C#N
InChI=1SC41H40N4O3Sc14830171529(161830)4538(47)3537(3214641228(32)2441(35)217282241)4439(45)492634(46)43363113531127(31)2340(33(36)2542)199102040h361118H2710192426H21H3(H4346)
MFCD02988320
N(2CYANOSPIRO(4HNAPHTHALENE31CYCLOPENTANE)1YL)2(3(4METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
N(3cyano1Hspiro(cyclopentane12naphthalen)4yl)2((3(4methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(3cyano1Hspiro(cyclopentane12naphthalen)4yl)2((3(4methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
ZINC000150411841
ZINC150411841
Check stock
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Check stock on Vitas-MAvailable files
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