Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(1-methyl-1H-pyrrol-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980069
SMILES CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cccn1C
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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 C21H23N5O2S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2S/c1-4-5-13-29-21-22-19-18(23-24-21)15-9-6-7-10-16(15)26(14(2)27)20(28-19)17-11-8-12-25(17)3/h6-12,20H,4-5,13H2,1-3H3InChIKey
MXJTZDOFZDJTPV-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(1methyl1Hpyrrol2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(1METHYLPYRROL2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(BUTYLSULFANYL)6(1METHYL1HPYRROL2YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CN4C)C(=O)C)N=N1
InChI=1SC21H23N5O2Sc145132921221918(232421)159671016(15)26(14(2)27)20(2819)171181225(17)3h61220H4513H213H3
MFCD02376873
ZINC000002094943
ZINC000002094944
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