Vitas-M small molecule compound
N-[4-(cyanomethyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Catalog ID
STL385665
SMILES N#CCc1ccc(cc1)NC(=O)C1Oc2ccccc2N(C1)S(=O)(=O)c1ccc(cc1)OC
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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 C24H21N3O5S MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5S/c1-31-19-10-12-20(13-11-19)33(29,30)27-16-23(32-22-5-3-2-4-21(22)27)24(28)26-18-8-6-17(7-9-18)14-15-25/h2-13,23H,14,16H2,1H3,(H,26,28)InChIKey
JJIONJXBICSUKY-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)CC#N
InChI=1SC24H21N3O5Sc13119101220(131119)33(2930)271623(3222532421(22)27)24(28)26188617(7918)141525h21323H1416H21H3(H2628)
MFCD27217698
N(4(cyanomethyl)phenyl)4((4methoxyphenyl)sulfonyl)34dihydro2H14benzoxazine2carboxamide
N(4(cyanomethyl)phenyl)4(4methoxyphenyl)sulfonyl23dihydro14benzoxazine2carboxamide
ZINC000064986298
ZINC000064986299
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