Vitas-M small molecule compound
7-methyl-4-[(4-methylphenyl)sulfonyl]-N-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Catalog ID
STL385492
SMILES C=CCNC(=O)C1Oc2cc(C)ccc2N(C1)S(=O)(=O)c1ccc(cc1)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 C20H22N2O4S MW 386.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4S/c1-4-11-21-20(23)19-13-22(17-10-7-15(3)12-18(17)26-19)27(24,25)16-8-5-14(2)6-9-16/h4-10,12,19H,1,11,13H2,2-3H3,(H,21,23)InChIKey
XMMPVQZHAWJXIH-UHFFFAOYSA-NSynonyms
7methyl4((4methylphenyl)sulfonyl)N(prop2en1yl)34dihydro2H14benzoxazine2carboxamide
7methyl4(4methylphenyl)sulfonylNprop2enyl23dihydro14benzoxazine2carboxamide
CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=C2C=CC(=C3)C)C(=O)NCC=C
InChI=1SC20H22N2O4Sc14112120(23)191322(1710715(3)1218(17)2619)27(2425)168514(2)6916h4101219H11113H223H3(H2123)
MFCD27217527
ZINC000064985948
ZINC000064985949
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