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4-({[(2E)-2-{(2E)-[4-(1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinylidene}-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid

Catalog ID
STK117246
SMILES O=C1N/C(=N\N=C(\CCc2ccc3c(c2)OCO3)/C)/SC(C1)C(=O)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)26-27-23-25-20(28)11-19(34-23)21(29)24-16-7-5-15(6-8-16)22(30)31/h4-10,19H,2-3,11-12H2,1H3,(H,24,29)(H,30,31)(H,25,27,28)/b26-13+
InChIKey
GHFDDNKKWIRHCB-LGJNPRDNSA-N
Synonyms
522636-87-9
4((((2E)2((2E)(4(13BENZODIOXOL5YL)BUTAN2YLIDENE)HYDRAZINYLIDENE)4OXO13THIAZINAN6YL)CARBONYL)AMINO)BENZOICACID
4((2((2E)2(4(13benzodioxol5yl)butan2ylidene)hydrazinyl)4oxo56dihydro13thiazine6carbonyl)amino)benzoicacid
4((2((3BENZO(13)DIOXOL5YL1METHYLPROP(E)YLIDENE)HYDRAZONO)4OXO(13)THIAZINANE6CARBONYL)AMINO)BENZOICACID
4((E)2((E)(4(benzo(d)(13)dioxol5yl)butan2ylidene)hydrazono)4oxo13thiazinane6carboxamido)benzoicacid
522636879
CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=C(C=C2)C(=O)O)CCC3=CC4=C(C=C3)OCO4
InChI=1SC23H22N4O6Sc113(2314491718(1014)33123217)2627232520(28)1119(3423)21(29)24167515(6816)22(30)31h41019H231112H21H3(H2429)(H3031)(H252728)b2613+
MFCD03057313
O=C1NC(=NN=C(CCc2ccc3c(c2)OCO3)C)SC(C1)C(=O)Nc1ccc(cc1)C(=O)O
ZINC000013143907
ZINC000013143911

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Available files

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