Vitas-M small molecule compound
(2E)-2-{(2E)-[1-(3-bromo-4-methoxyphenyl)ethylidene]hydrazinylidene}-N-(4-chlorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
Catalog ID
STK083799
SMILES COc1ccc(cc1Br)/C(=N/N=C/1\NC(=O)CC(S1)C(=O)Nc1ccc(cc1)Cl)/C
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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 C20H18BrClN4O3S MW 509.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrClN4O3S/c1-11(12-3-8-16(29-2)15(21)9-12)25-26-20-24-18(27)10-17(30-20)19(28)23-14-6-4-13(22)5-7-14/h3-9,17H,10H2,1-2H3,(H,23,28)(H,24,26,27)/b25-11+InChIKey
IFGZBNKACBBNAN-OPEKNORGSA-NSynonyms
385420-54-2(2E)2((2E)(1(3BROMO4METHOXYPHENYL)ETHYLIDENE)HYDRAZINYLIDENE)N(4CHLOROPHENYL)4OXO13THIAZINANE6CARBOXAMIDE
(E)2((E)(1(3bromo4methoxyphenyl)ethylidene)hydrazono)N(4chlorophenyl)4oxo13thiazinane6carboxamide
2((2E)2(1(3BROMO4METHOXYPHENYL)ETHYLIDENE)HYDRAZINYL)N(4CHLOROPHENYL)4OXO56DIHYDRO13THIAZINE6CARBOXAMIDE
385420542
CC(=NNC1=NC(=O)CC(S1)C(=O)NC2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)OC)Br
COc1ccc(cc1Br)C(=NN=C1NC(=O)CC(S1)C(=O)Nc1ccc(cc1)Cl)C
InChI=1SC20H18BrClN4O3Sc111(123816(292)15(21)912)2526202418(27)1017(3020)19(28)23146413(22)5714h3917H10H212H3(H2328)(H242627)b2511+
MFCD03057033
STK083799
ZINC000009008356
ZINC000009216591
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