Vitas-M small molecule compound
5-bromo-4-{(Z)-[3-(difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]methyl}-2-ethoxyphenyl acetate
Catalog ID
STK303391
SMILES CCOc1cc(/C=c/2\sc3nnc(n3nc2C)C(F)F)c(cc1OC(=O)C)Br
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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 C17H15BrF2N4O3S MW 473.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15BrF2N4O3S/c1-4-26-12-5-10(11(18)7-13(12)27-9(3)25)6-14-8(2)23-24-16(15(19)20)21-22-17(24)28-14/h5-7,15H,4H2,1-3H3/b14-6-InChIKey
VMFBXSKVQZAURB-NSIKDUERSA-NSynonyms
827593-08-8(5BROMO4((Z)(3(DIFLUOROMETHYL)6METHYL(124)TRIAZOLO(34B)(134)THIADIAZIN7YLIDENE)METHYL)2ETHOXYPHENYL)ACETATE
4((3(DIFLUOROMETHYL)6METHYL(124TRIAZOLO(34B)134THIADIAZIN7YLIDENE))METHYL)5BROMO2ETHOXYPHENYLACETATE
5bromo4((Z)(3(difluoromethyl)6methyl7H(124)triazolo(34b)(134)thiadiazin7ylidene)methyl)2ethoxyphenylacetate
827593088
CCOC1=C(C=C(C(=C1)C=C2C(=NN3C(=NN=C3S2)C(F)F)C)Br)OC(=O)C
CCOc1cc(C=c2sc3nnc(n3nc2C)C(F)F)c(cc1OC(=O)C)Br
InChI=1SC17H15BrF2N4O3Sc142612510(11(18)713(12)279(3)25)6148(2)232416(15(19)20)212217(24)2814h5715H4H213H3b146
MFCD04051489
ZINC000002776755
ZINC02776755
ZINC2776755
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