Vitas-M small molecule compound
{[3-(cyclohexylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
Catalog ID
STK832667
SMILES N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC1CCCCC1)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 C26H31N3OS MW 433.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3OS/c27-15-16-31-25-28-23-21-12-6-5-11-20(21)17-26(13-7-2-8-14-26)22(23)24(30)29(25)18-19-9-3-1-4-10-19/h5-6,11-12,19H,1-4,7-10,13-14,16-18H2InChIKey
DNNBYDAITZOXQL-UHFFFAOYSA-NSynonyms
332024-64-3((3(cyclohexylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetonitrile
2((3(cyclohexylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetonitrile
2(3(CYCLOHEXYLMETHYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETONITRILE
332024643
C1CCC(CC1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#N
InChI=1SC26H31N3OSc271516312528232112651120(21)1726(137281426)22(23)24(30)29(25)181993141019h56111219H1471013141618H2
MFCD01175070
ZINC000002060614
ZINC02060614
ZINC2060614
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