Vitas-M small molecule compound
2-chloro-4-[3-(ethylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Catalog ID
STK521665
SMILES CCSc1nnc2c(n1)OC(c1ccc(c(c1)Cl)OC(=O)CC)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 C24H23ClN4O4S MW 498.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClN4O4S/c1-4-19(30)29-17-10-8-7-9-15(17)21-22(26-24(28-27-21)34-6-3)33-23(29)14-11-12-18(16(25)13-14)32-20(31)5-2/h7-13,23H,4-6H2,1-3H3InChIKey
CCNWXAOXZZIBFW-UHFFFAOYSA-NSynonyms
(2CHLORO4(3ETHYLSULFANYL7PROPANOYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)PROPANOATE
2chloro4(3(ethylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenylpropanoate
2CHLORO4(3(ETHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLPROPIONATE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=CC(=C(C=C4)OC(=O)CC)Cl
InChI=1SC24H23ClN4O4Sc1419(30)29171087915(17)2122(2624(282721)3463)3323(29)14111218(16(25)1314)3220(31)52h71323H46H213H3
MFCD03080500
ZINC000000684750
ZINC000000684751
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