Vitas-M small molecule compound
2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl 4-tert-butylbenzoate
Catalog ID
STL013109
SMILES Cc1ccc2c(c1)N(CCO2)C(=O)COC(=O)c1ccc(cc1)C(C)(C)C
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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 C22H25NO4 MW 367.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO4/c1-15-5-10-19-18(13-15)23(11-12-26-19)20(24)14-27-21(25)16-6-8-17(9-7-16)22(2,3)4/h5-10,13H,11-12,14H2,1-4H3InChIKey
DDTDAZZSOHKCQO-UHFFFAOYSA-NSynonyms
(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)4tertbutylbenzoate
2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl4tertbutylbenzoate
CC1=CC2=C(C=C1)OCCN2C(=O)COC(=O)C3=CC=C(C=C3)C(C)(C)C
InChI=1SC22H25NO4c1155101918(1315)23(11122619)20(24)142721(25)166817(9716)22(23)4h51013H111214H214H3
MFCD18185985
ZINC000051356041
ZINC51356041
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