Vitas-M small molecule compound
{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
Catalog ID
STK833346
SMILES C=CCn1c(SCC#N)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 C22H23N3OS MW 377.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3OS/c1-2-13-25-20(26)18-19(24-21(25)27-14-12-23)17-9-5-4-8-16(17)15-22(18)10-6-3-7-11-22/h2,4-5,8-9H,1,3,6-7,10-11,13-15H2InChIKey
XPYKTELUWLOTBJ-UHFFFAOYSA-NSynonyms
332024-49-4((4oxo3(prop2en1yl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetonitrile
2((3allyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetonitrile
2(4OXO3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETONITRILE
332024494
C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#N
InChI=1SC22H23N3OSc12132520(26)1819(2421(25)27141223)17954816(17)1522(18)106371122h24589H136710111315H2
MFCD01175040
ZINC000002081415
ZINC02081415
ZINC2081415
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