Vitas-M small molecule compound
6-tert-butyl-4-(phenylsulfonyl)-N-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Catalog ID
STL385337
SMILES C=CCNC(=O)C1Oc2ccc(cc2N(C1)S(=O)(=O)c1ccccc1)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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c1-5-13-23-21(25)20-15-24(29(26,27)17-9-7-6-8-10-17)18-14-16(22(2,3)4)11-12-19(18)28-20/h5-12,14,20H,1,13,15H2,2-4H3,(H,23,25)InChIKey
QZOOYHQOHZBYKP-UHFFFAOYSA-NSynonyms
4(benzenesulfonyl)6tertbutylNprop2enyl23dihydro14benzoxazine2carboxamide
6tertbutyl4(phenylsulfonyl)N(prop2en1yl)34dihydro2H14benzoxazine2carboxamide
CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C3=CC=CC=C3)C(=O)NCC=C
InChI=1SC22H26N2O4Sc15132321(25)201524(29(2627)1797681017)181416(22(23)4)111219(18)2820h5121420H11315H224H3(H2325)
MFCD27217365
ZINC000064985445
ZINC000064985447
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