Vitas-M small molecule compound
4-benzyl-1-[(2-phenoxyethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK526387
SMILES O=c1n(Cc2ccccc2)c2nnc(n2c2c1C1(CCCCC1)Cc1c2cccc1)SCCOc1ccccc1
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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/c38-30-28-29(27-17-9-8-14-25(27)22-33(28)18-10-3-11-19-33)37-31(36(30)23-24-12-4-1-5-13-24)34-35-32(37)40-21-20-39-26-15-6-2-7-16-26/h1-2,4-9,12-17H,3,10-11,18-23H2InChIKey
CVVPHAWDCKXQDN-UHFFFAOYSA-NSynonyms
374550-14-8374550148
4benzyl1((2phenoxyethyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4benzyl1((2phenoxyethyl)thio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=C(N45)SCCOC6=CC=CC=C6)CC7=CC=CC=C7
InChI=1SC33H32N4O2Sc38302829(2717981425(27)2233(28)18103111933)3731(36(30)2324124151324)343532(37)4021203926156271626h12491217H310111823H2
MFCD01957350
ZINC000001799102
ZINC1799102
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