Vitas-M small molecule compound
2-bromo-4-chloro-6-[3-(ethylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Catalog ID
STK521210
SMILES CCSc1nnc2c(n1)OC(c1cc(Cl)cc(c1OC(=O)CC)Br)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 C24H22BrClN4O4S MW 577.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrClN4O4S/c1-4-18(31)30-17-10-8-7-9-14(17)20-22(27-24(29-28-20)35-6-3)34-23(30)15-11-13(26)12-16(25)21(15)33-19(32)5-2/h7-12,23H,4-6H2,1-3H3InChIKey
ZOCNAYLROFEORX-UHFFFAOYSA-NSynonyms
(2BROMO4CHLORO6(3ETHYLSULFANYL7PROPANOYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)PROPANOATE
2bromo4chloro6(3(ethylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenylpropanoate
2BROMO4CHLORO6(3(ETHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLPROPIONATE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=CC(=CC(=C4OC(=O)CC)Br)Cl
InChI=1SC24H22BrClN4O4Sc1418(31)30171087914(17)2022(2724(292820)3563)3423(30)151113(26)1216(25)21(15)3319(32)52h71223H46H213H3
MFCD03080439
ZINC000002113659
ZINC000002113661
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