Vitas-M small molecule compound
1-[(4-bromobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK531599
SMILES Brc1ccc(cc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccco1)CCCCC3
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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 C30H27BrN4O2S MW 587.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27BrN4O2S/c31-22-12-10-20(11-13-22)19-38-29-33-32-28-34(18-23-8-6-16-37-23)27(36)25-26(35(28)29)24-9-3-2-7-21(24)17-30(25)14-4-1-5-15-30/h2-3,6-13,16H,1,4-5,14-15,17-19H2InChIKey
IIBUQVCVHHQIRK-UHFFFAOYSA-NSynonyms
1((4bromobenzyl)sulfanyl)4(furan2ylmethyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1((4bromobenzyl)thio)4(furan2ylmethyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=C(N45)SCC6=CC=C(C=C6)Br)CC7=CC=CO7
InChI=1SC30H27BrN4O2Sc3122121020(111322)19382933322834(182386163723)27(36)2526(35(28)29)24932721(24)1730(25)144151530h2361316H14514151719H2
MFCD02994270
ZINC000001835794
ZINC1835794
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