Vitas-M small molecule compound

2-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate

Catalog ID
STK521120
SMILES CCC(=O)Oc1ccccc1C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-4-18(28)27-16-12-8-6-10-14(16)20-21(24-23(32-3)26-25-20)31-22(27)15-11-7-9-13-17(15)30-19(29)5-2/h6-13,22H,4-5H2,1-3H3
InChIKey
SOYUOSPOLVZNNL-UHFFFAOYSA-N
Synonyms

(2(3METHYLSULFANYL7PROPANOYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)PROPANOATE
2(3(methylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenylpropanoate
2(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLPROPIONATE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CC=C4OC(=O)CC
InChI=1SC23H22N4O4Sc1418(28)271612861014(16)2021(2423(323)262520)3122(27)1511791317(15)3019(29)52h61322H45H213H3
MFCD02951942
ZINC000000684264
ZINC000001007135

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Available files

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