Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509129
SMILES CSc1ccc(cc1)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2
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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 C20H18N4O2S2 MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S2/c1-12(25)24-16-7-5-4-6-15(16)17-18(21-20(28-3)23-22-17)26-19(24)13-8-10-14(27-2)11-9-13/h4-11,19H,1-3H3InChIKey
SFEBEHGERSETTE-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(4(methylsulfanyl)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3METHYLSULFANYL6(4METHYLSULFANYLPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(METHYLSULFANYL)6(4(METHYLSULFANYL)PHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)SC
InChI=1SC20H18N4O2S2c112(25)2416754615(16)1718(2120(283)232217)2619(24)1381014(272)11913h41119H13H3
MFCD01929812
ZINC000000683330
ZINC000000683331
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