Vitas-M small molecule compound

methyl 4-[7-propanoyl-3-(prop-2-en-1-ylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate

Catalog ID
STK980174
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(cc1)C(=O)OC)N(c1c2cccc1)C(=O)CC

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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 C24H22N4O4S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4S/c1-4-14-33-24-25-21-20(26-27-24)17-8-6-7-9-18(17)28(19(29)5-2)22(32-21)15-10-12-16(13-11-15)23(30)31-3/h4,6-13,22H,1,5,14H2,2-3H3
InChIKey
PKELOZDCXPIZQZ-UHFFFAOYSA-N
Synonyms

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC=C(C=C4)C(=O)OC
InChI=1SC24H22N4O4Sc14143324252120(262724)17867918(17)28(19(29)52)22(3221)15101216(131115)23(30)313h461322H1514H223H3
methyl4(7propanoyl3(prop2en1ylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)benzoate
methyl4(7propanoyl3prop2enylsulfanyl6H(124)triazino(56d)(31)benzoxazepin6yl)benzoate
MFCD03784967
ZINC000015016419
ZINC000015016420

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Available files

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