Vitas-M small molecule compound

1-[(2-phenoxyethyl)sulfanyl]-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one

Catalog ID
STK526591
SMILES O=c1n(c2ccccc2)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 C32H30N4O2S MW 534.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O2S/c37-29-27-28(26-17-9-8-12-23(26)22-32(27)18-10-3-11-19-32)36-30(35(29)24-13-4-1-5-14-24)33-34-31(36)39-21-20-38-25-15-6-2-7-16-25/h1-2,4-9,12-17H,3,10-11,18-22H2
InChIKey
SLRSETLWQIRCQQ-UHFFFAOYSA-N
Synonyms
372975-83-2
1((2phenoxyethyl)sulfanyl)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1((2phenoxyethyl)thio)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
372975832
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=C(N45)SCCOC6=CC=CC=C6)C7=CC=CC=C7
InChI=1SC32H30N4O2Sc37292728(2617981223(26)2232(27)18103111932)3630(35(29)24134151424)333431(36)3921203825156271625h12491217H310111822H2
MFCD01953842
ZINC000002286716
ZINC2286716

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Available files

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