Vitas-M small molecule compound
4-(4-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
STK935109
SMILES COc1ccc(cc1)n1c2nnc(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(22-11-13-23(36-3)14-12-22)27(35)25-26(34(28)29)24-10-6-5-9-21(24)19-30(25)16-7-4-8-17-30/h5-6,9-14,20H,4,7-8,15-19H2,1-3H3InChIKey
PTDUNBPPYWCOBH-UHFFFAOYSA-NSynonyms
1(isopentylthio)4(4methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4(4methoxyphenyl)1((3methylbutyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC(C)CCSC1=NN=C2N1C3=C(C(=O)N2C4=CC=C(C=C4)OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC30H34N4O2Sc120(2)1518372932312833(22111323(363)141222)27(35)2526(34(28)29)241065921(24)1930(25)167481730h5691420H4781519H213H3
MFCD01959625
ZINC000012321029
ZINC12321029
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