Vitas-M small molecule compound
2-bromo-6-methoxy-4-[(E)-(6-oxo-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate
Catalog ID
STK815478
SMILES COc1cc(cc(c1OC(=O)C)Br)/C=c\1/sc2n(c1=O)nc(n2)c1ccccc1
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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 C20H14BrN3O4S MW 472.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrN3O4S/c1-11(25)28-17-14(21)8-12(9-15(17)27-2)10-16-19(26)24-20(29-16)22-18(23-24)13-6-4-3-5-7-13/h3-10H,1-2H3/b16-10+InChIKey
HKBXJPJCVMWRSY-MHWRWJLKSA-NSynonyms
(2BROMO6METHOXY4((E)(6OXO2PHENYL(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)PHENYL)ACETATE
2bromo6methoxy4((E)(6oxo2phenyl(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)phenylacetate
CC(=O)OC1=C(C=C(C=C1Br)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2)OC
COc1cc(cc(c1OC(=O)C)Br)C=c1sc2n(c1=O)nc(n2)c1ccccc1
InChI=1SC20H14BrN3O4Sc111(25)281714(21)812(915(17)272)101619(26)2420(2916)2218(2324)136435713h310H12H3b1610+
MFCD04442679
ZINC000016805606
ZINC16805606
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