Vitas-M small molecule compound
3-(4-methoxybenzyl)-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK013158
SMILES COc1ccc(cc1)Cn1c(=S)[nH]c2c(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 C25H26N2O2S MW 418.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O2S/c1-29-19-11-9-17(10-12-19)16-27-23(28)21-22(26-24(27)30)20-8-4-3-7-18(20)15-25(21)13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,26,30)InChIKey
YBGCSQLNKXETBW-UHFFFAOYSA-NSynonyms
330181-65-23((4METHOXYPHENYL)METHYL)2SULFANYLIDENESPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4METHOXYBENZYL)2SULFANYL3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
3(4METHOXYBENZYL)2THIOXO23DIHYDRO1HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
330181652
COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)NC2=S
COc1ccc(cc1)Cn1c(=S)(nH)c2c(c1=O)C1(CCCCC1)Cc1c2cccc1
InChI=1SC25H26N2O2Sc1291911917(101219)162723(28)2122(2624(27)30)20843718(20)1525(21)135261425h34712H2561316H21H3(H2630)
MFCD01558178
STK013158
ZINC02183037
ZINC2183037
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