Vitas-M small molecule compound
4-benzyl-6-ethyl-6-methyl-1-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Catalog ID
STK775209
SMILES CCC1(C)Cc2ccccc2c2c1c(=O)n(c1n2c(SCC(=O)N2CCCCC2)nn1)Cc1ccccc1
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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 C30H33N5O2S MW 527.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O2S/c1-3-30(2)18-22-14-8-9-15-23(22)26-25(30)27(37)34(19-21-12-6-4-7-13-21)28-31-32-29(35(26)28)38-20-24(36)33-16-10-5-11-17-33/h4,6-9,12-15H,3,5,10-11,16-20H2,1-2H3InChIKey
PCDLIPLDHUISKE-UHFFFAOYSA-NSynonyms
4benzyl6ethyl6methyl1((2oxo2(piperidin1yl)ethyl)sulfanyl)67dihydrobenzo(h)(124)triazolo(43a)quinazolin5(4H)one
CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NN=C(N34)SCC(=O)N5CCCCC5)CC6=CC=CC=C6)C
InChI=1SC30H33N5O2Sc1330(2)182214891523(22)2625(30)27(37)34(1921126471321)28313229(35(26)28)382024(36)3316105111733h4691215H3510111620H212H3
MFCD04212301
ZINC000001421841
ZINC000001421842
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