Vitas-M small molecule compound
4-(4-methoxybenzyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK722660
SMILES COc1ccc(cc1)Cn1c(=O)c2c(n3c1nnc3S)c1ccccc1CC12CCCCC1
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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 C26H26N4O2S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2S/c1-32-19-11-9-17(10-12-19)16-29-23(31)21-22(30-24(29)27-28-25(30)33)20-8-4-3-7-18(20)15-26(21)13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,28,33)InChIKey
UQOQIMPYTLSRPV-UHFFFAOYSA-NSynonyms
372497-07-91mercapto4(4methoxybenzyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
372497079
4(4methoxybenzyl)1sulfanyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NNC6=S
InChI=1SC26H26N4O2Sc1321911917(101219)162923(31)2122(3024(29)272825(30)33)20843718(20)1526(21)135261426h34712H2561316H21H3(H2833)
MFCD01943547
ZINC000002277246
ZINC2277246
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