Vitas-M small molecule compound
methyl 4-({[(2E)-2-{(2E)-[4-(1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinylidene}-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoate
Catalog ID
STK043708
SMILES COC(=O)c1ccc(cc1)NC(=O)C1CC(=O)N/C(=N\N=C(\CCc2ccc3c(c2)OCO3)/C)/S1
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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 C24H24N4O6S MW 496.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O6S/c1-14(3-4-15-5-10-18-19(11-15)34-13-33-18)27-28-24-26-21(29)12-20(35-24)22(30)25-17-8-6-16(7-9-17)23(31)32-2/h5-11,20H,3-4,12-13H2,1-2H3,(H,25,30)(H,26,28,29)/b27-14+InChIKey
XKPOGLFISCHYDE-MZJWZYIUSA-NSynonyms
CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=C(C=C2)C(=O)OC)CCC3=CC4=C(C=C3)OCO4
COC(=O)c1ccc(cc1)NC(=O)C1CC(=O)NC(=NN=C(CCc2ccc3c(c2)OCO3)C)S1
InChI=1SC24H24N4O6Sc114(34155101819(1115)34133318)2728242621(29)1220(3524)22(30)25178616(7917)23(31)322h51120H341213H212H3(H2530)(H262829)b2714+
METHYL4((((2E)2((2E)(4(13BENZODIOXOL5YL)BUTAN2YLIDENE)HYDRAZINYLIDENE)4OXO13THIAZINAN6YL)CARBONYL)AMINO)BENZOATE
methyl4((2((2E)2(4(13benzodioxol5yl)butan2ylidene)hydrazinyl)4oxo56dihydro13thiazine6carbonyl)amino)benzoate
MFCD03057822
STK043708
ZINC000013942719
ZINC000013942721
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