Vitas-M small molecule compound
1-(benzylsulfanyl)-4-(4-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK526069
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCc1ccccc1
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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 C32H30N4O2S MW 534.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O2S/c1-38-25-16-14-24(15-17-25)35-29(37)27-28(26-13-7-6-12-23(26)20-32(27)18-8-3-9-19-32)36-30(35)33-34-31(36)39-21-22-10-4-2-5-11-22/h2,4-7,10-17H,3,8-9,18-21H2,1H3InChIKey
CVFMEMMGHOJPOA-UHFFFAOYSA-NSynonyms
373377-99-21(benzylsulfanyl)4(4methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1(benzylthio)4(4methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
373377992
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC7=CC=CC=C7
InChI=1SC32H30N4O2Sc13825161424(151725)3529(37)2728(2613761223(26)2032(27)188391932)3630(35)333431(36)392122104251122h2471017H3891821H21H3
MFCD01947518
ZINC000002280886
ZINC2280886
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