Vitas-M small molecule compound
2-bromo-6-methoxy-4-{(Z)-[2-(3-methyl-1-benzofuran-2-yl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Catalog ID
STK815821
SMILES COc1cc(cc(c1OC(=O)C)Br)/C=c/1\sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2
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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 C23H16BrN3O5S MW 526.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16BrN3O5S/c1-11-14-6-4-5-7-16(14)32-19(11)21-25-23-27(26-21)22(29)18(33-23)10-13-8-15(24)20(31-12(2)28)17(9-13)30-3/h4-10H,1-3H3/b18-10-InChIKey
RWHAPDNZRAQNFA-ZDLGFXPLSA-NSynonyms
(2BROMO6METHOXY4((Z)(2(3METHYL1BENZOFURAN2YL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)PHENYL)ACETATE
2bromo6methoxy4((Z)(2(3methyl1benzofuran2yl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)phenylacetate
CC1=C(OC2=CC=CC=C12)C3=NN4C(=O)C(=CC5=CC(=C(C(=C5)Br)OC(=O)C)OC)SC4=N3
COc1cc(cc(c1OC(=O)C)Br)C=c1sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2
InChI=1SC23H16BrN3O5Sc11114645716(14)3219(11)21252327(2621)22(29)18(3323)1013815(24)20(3112(2)28)17(913)303h410H13H3b1810
MFCD03533212
ZINC000033353986
ZINC33353986
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