Vitas-M small molecule compound
butyl 4-{[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetyl]amino}benzoate
Catalog ID
STK822657
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)CC1Sc2ccccc2NC1=O
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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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-2-3-12-27-21(26)14-8-10-15(11-9-14)22-19(24)13-18-20(25)23-16-6-4-5-7-17(16)28-18/h4-11,18H,2-3,12-13H2,1H3,(H,22,24)(H,23,25)InChIKey
QCZRVEYJMFKDPG-UHFFFAOYSA-NSynonyms
893691-82-2893691822
butyl4(((3oxo34dihydro2H14benzothiazin2yl)acetyl)amino)benzoate
butyl4((2(3oxo4H14benzothiazin2yl)acetyl)amino)benzoate
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2
InChI=1SC21H22N2O4Sc123122721(26)1481015(11914)2219(24)131820(25)2316645717(16)2818h41118H231213H21H3(H2224)(H2325)
MFCD03212272
ZINC000005861555
ZINC000005861564
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