Vitas-M small molecule compound
4-benzyl-1-(ethylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK722662
SMILES CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)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 C27H28N4OS MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4OS/c1-2-33-26-29-28-25-30(18-19-11-5-3-6-12-19)24(32)22-23(31(25)26)21-14-8-7-13-20(21)17-27(22)15-9-4-10-16-27/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3InChIKey
TVUUOKUAGATVLD-UHFFFAOYSA-NSynonyms
373614-96-11(ETHYLSULFANYL)4BENZYL67DIHYDROSPIRO(BENZO(H)(124)TRIAZOLO(43A)QUINAZOLINE61CYCLOHEXANE)5(4H)ONE
373614961
4benzyl1(ethylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4benzyl1(ethylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC27H28N4OSc12332629282530(1819115361219)24(32)2223(31(25)26)2114871320(21)1727(22)1594101627h3581114H249101518H21H3
MFCD01948748
ZINC000002281640
ZINC2281640
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