Vitas-M small molecule compound
4-{7-acetyl-3-[(2-chlorobenzyl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}-2-ethoxyphenyl acetate
Catalog ID
STK521717
SMILES CCOc1cc(ccc1OC(=O)C)C1Oc2nc(nnc2c2c(N1C(=O)C)cccc2)SCc1ccccc1Cl
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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 C29H25ClN4O5S MW 577.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4O5S/c1-4-37-25-15-19(13-14-24(25)38-18(3)36)28-34(17(2)35)23-12-8-6-10-21(23)26-27(39-28)31-29(33-32-26)40-16-20-9-5-7-11-22(20)30/h5-15,28H,4,16H2,1-3H3InChIKey
SJIKDSQPNURWQO-UHFFFAOYSA-NSynonyms
(4(7ACETYL3((2CHLOROPHENYL)METHYLSULFANYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2ETHOXYPHENYL)ACETATE
4(7acetyl3((2chlorobenzyl)sulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2ethoxyphenylacetate
CCOC1=C(C=CC(=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5Cl)C(=O)C)OC(=O)C
InChI=1SC29H25ClN4O5Sc1437251519(131424(25)3818(3)36)2834(17(2)35)2312861021(23)2627(3928)3129(333226)4016209571122(20)30h51528H416H213H3
MFCD03784956
ZINC000002114327
ZINC000002114329
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