Vitas-M small molecule compound
4-(3-methoxyphenyl)-1-[(2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK532121
SMILES COc1cccc(c1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCCc1ccccc1
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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 C33H32N4O2S MW 548.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O2S/c1-39-26-15-10-14-25(21-26)36-30(38)28-29(27-16-7-6-13-24(27)22-33(28)18-8-3-9-19-33)37-31(36)34-35-32(37)40-20-17-23-11-4-2-5-12-23/h2,4-7,10-16,21H,3,8-9,17-20,22H2,1H3InChIKey
YTVYWTLOBCAFKC-UHFFFAOYSA-NSynonyms
4(3methoxyphenyl)1((2phenylethyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4(3methoxyphenyl)1(phenethylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCCC7=CC=CC=C7
InChI=1SC33H32N4O2Sc1392615101425(2126)3630(38)2829(2716761324(27)2233(28)188391933)3731(36)343532(37)40201723114251223h247101621H389172022H21H3
MFCD02240856
ZINC000002298579
ZINC2298579
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