Vitas-M small molecule compound
(2E)-2-{(2E)-[1-(3-fluoro-4-methoxyphenyl)ethylidene]hydrazinylidene}-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
Catalog ID
STK037875
SMILES COc1ccc(cc1)NC(=O)C1CC(=O)N/C(=N\N=C(\c2ccc(c(c2)F)OC)/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 C21H21FN4O4S MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN4O4S/c1-12(13-4-9-17(30-3)16(22)10-13)25-26-21-24-19(27)11-18(31-21)20(28)23-14-5-7-15(29-2)8-6-14/h4-10,18H,11H2,1-3H3,(H,23,28)(H,24,26,27)/b25-12+InChIKey
UEEVZRJUSMLLGA-BRJLIKDPSA-NSynonyms
(2E)2((2E)(1(3FLUORO4METHOXYPHENYL)ETHYLIDENE)HYDRAZINYLIDENE)N(4METHOXYPHENYL)4OXO13THIAZINANE6CARBOXAMIDE
2((2E)2(1(3FLUORO4METHOXYPHENYL)ETHYLIDENE)HYDRAZINYL)N(4METHOXYPHENYL)4OXO56DIHYDRO13THIAZINE6CARBOXAMIDE
CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=C(C=C2)OC)C3=CC(=C(C=C3)OC)F
COc1ccc(cc1)NC(=O)C1CC(=O)NC(=NN=C(c2ccc(c(c2)F)OC)C)S1
InChI=1SC21H21FN4O4Sc112(134917(303)16(22)1013)2526212419(27)1118(3121)20(28)23145715(292)8614h41018H11H213H3(H2328)(H242627)b2512+
MFCD03057746
STK037875
ZINC000013942200
ZINC000013942202
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