Vitas-M small molecule compound
4-(2-methoxyphenyl)-1-[(3-methylbutyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK525149
SMILES COc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCCC(C)C
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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 C30H34N4O2S MW 514.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O2S/c1-20(2)15-18-37-29-32-31-28-33(23-13-7-8-14-24(23)36-3)27(35)25-26(34(28)29)22-12-6-5-11-21(22)19-30(25)16-9-4-10-17-30/h5-8,11-14,20H,4,9-10,15-19H2,1-3H3InChIKey
YVVZWMSEZALZAO-UHFFFAOYSA-NSynonyms
374086-18-71(isopentylthio)4(2methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
374086187
4(2methoxyphenyl)1((3methylbutyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC(C)CCSC1=NN=C2N1C3=C(C(=O)N2C4=CC=CC=C4OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC30H34N4O2Sc120(2)1518372932312833(2313781424(23)363)27(35)2526(34(28)29)2212651121(22)1930(25)1694101730h58111420H49101519H213H3
MFCD01950284
ZINC000001744348
ZINC1744348
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