Vitas-M small molecule compound
6-tert-butyl-N-[3-(methylsulfanyl)phenyl]-4-(phenylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Catalog ID
STL385379
SMILES CSc1cccc(c1)NC(=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 C26H28N2O4S2 MW 496.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4S2/c1-26(2,3)18-13-14-23-22(15-18)28(34(30,31)21-11-6-5-7-12-21)17-24(32-23)25(29)27-19-9-8-10-20(16-19)33-4/h5-16,24H,17H2,1-4H3,(H,27,29)InChIKey
UKOIHBUGSFHZAF-UHFFFAOYSA-NSynonyms
4(benzenesulfonyl)6tertbutylN(3methylsulfanylphenyl)23dihydro14benzoxazine2carboxamide
6tertbutylN(3(methylsulfanyl)phenyl)4(phenylsulfonyl)34dihydro2H14benzoxazine2carboxamide
CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)SC
InChI=1SC26H28N2O4S2c126(23)1813142322(1518)28(34(3031)21116571221)1724(3223)25(29)2719981020(1619)334h51624H17H214H3(H2729)
MFCD27217405
ZINC000064985591
ZINC000064985593
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