Vitas-M small molecule compound
2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK563085
SMILES C=CCn1c(SCc2nc(O)c3c(n2)c2ccccc2CC23CCCC2)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 C37H38N4O2S MW 602.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H38N4O2S/c1-2-20-41-34(43)30-32(27-15-7-5-13-25(27)22-37(30)16-8-3-9-17-37)40-35(41)44-23-28-38-31-26-14-6-4-12-24(26)21-36(18-10-11-19-36)29(31)33(42)39-28/h2,4-7,12-15H,1,3,8-11,16-23H2,(H,38,39,42)InChIKey
VQFVDOLUDAHSSD-UHFFFAOYSA-NSynonyms
2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclopentan)2yl)methyl)sulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)METHYLSULFANYL)3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=NC(=O)C6=C(N5)C7=CC=CC=C7CC68CCCC8
InChI=1SC37H38N4O2Sc12204134(43)3032(2715751325(27)2237(30)168391737)4035(41)44232838312614641224(26)2136(1810111936)29(31)33(42)3928h2471215H138111623H2(H383942)
MFCD03814213
ZINC000101232329
ZINC101232329
Check stock
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Check stock on Vitas-MAvailable files
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