Vitas-M small molecule compound
4-{[(3-{[(2E)-4-(1,3-benzodioxol-5-yl)butan-2-ylidene]amino}-2-imino-4-oxo-1,3-thiazinan-6-yl)carbonyl]amino}benzoic acid
Catalog ID
STK677720
SMILES O=C(C1CC(=O)N(C(=N)S1)/N=C(/CCc1ccc2c(c1)OCO2)\C)Nc1ccc(cc1)C(=O)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 C23H22N4O6S MW 482.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O6S/c1-13(2-3-14-4-9-17-18(10-14)33-12-32-17)26-27-20(28)11-19(34-23(27)24)21(29)25-16-7-5-15(6-8-16)22(30)31/h4-10,19,24H,2-3,11-12H2,1H3,(H,25,29)(H,30,31)/b24-23+,26-13+InChIKey
PNLFLOKSOHGHHY-RQFSCCIPSA-NSynonyms
4(((3(((2E)4(13benzodioxol5yl)butan2ylidene)amino)2imino4oxo13thiazinan6yl)carbonyl)amino)benzoicacid
MFCD02944430
O=C(C1CC(=O)N(C(=N)S1)N=C(CCc1ccc2c(c1)OCO2)C)Nc1ccc(cc1)C(=O)O
ZINC000008856750
ZINC000008856753
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