Vitas-M small molecule compound

2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide

Catalog ID
STK130936
SMILES CCc1ccc(cc1)NC(=O)C1CC(=O)N=C(S1)N/N=C/c1ccc2c(c1)OCO2

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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 C21H20N4O4S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S/c1-2-13-3-6-15(7-4-13)23-20(27)18-10-19(26)24-21(30-18)25-22-11-14-5-8-16-17(9-14)29-12-28-16/h3-9,11,18H,2,10,12H2,1H3,(H,23,27)(H,24,25,26)/b22-11+
InChIKey
IOOLUPGAKCCESB-SSDVNMTOSA-N
Synonyms
500274-28-2
(2(((1E)2(2HBENZO(34D)13DIOXOLEN5YL)1AZAVINYL)AMINO)4OXO(56DIHYDRO13THIAZIN6YL))N(4ETHYLPHENYL)CARBOXAMIDE
(E)2(2(benzo(d)(13)dioxol5ylmethylene)hydrazinyl)N(4ethylphenyl)4oxo56dihydro4H13thiazine6carboxamide
2((2E)2(13benzodioxol5ylmethylidene)hydrazinyl)N(4ethylphenyl)4oxo56dihydro13thiazine6carboxamide
2((2E)2(13BENZODIOXOL5YLMETHYLIDENE)HYDRAZINYL)N(4ETHYLPHENYL)4OXO56DIHYDRO4H13THIAZINE6CARBOXAMIDE
500274282
CCC1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)NN=CC3=CC4=C(C=C3)OCO4
CCc1ccc(cc1)NC(=O)C1CC(=O)N=C(S1)NN=Cc1ccc2c(c1)OCO2
InChI=1SC21H20N4O4Sc12133615(7413)2320(27)181019(26)2421(3018)25221114581617(914)29122816h391118H21012H21H3(H2327)(H242526)b2211+
MFCD03303055
ZINC000002353915
ZINC000002353920

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.