Vitas-M small molecule compound
2-bromo-6-methoxy-4-{(E)-[2-(4-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Catalog ID
STK814213
SMILES COc1cc(cc(c1OC(=O)C)Br)/C=c\1/sc2n(c1=O)nc(n2)c1ccc(cc1)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 C21H16BrN3O4S MW 486.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN3O4S/c1-11-4-6-14(7-5-11)19-23-21-25(24-19)20(27)17(30-21)10-13-8-15(22)18(29-12(2)26)16(9-13)28-3/h4-10H,1-3H3/b17-10+InChIKey
WQRXMQWJTOWJDA-LICLKQGHSA-NSynonyms
(2BROMO6METHOXY4((E)(2(4METHYLPHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)PHENYL)ACETATE
2bromo6methoxy4((E)(2(4methylphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)phenylacetate
CC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C(=C4)Br)OC(=O)C)OC)SC3=N2
COc1cc(cc(c1OC(=O)C)Br)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C
InChI=1SC21H16BrN3O4Sc1114614(7511)19232125(2419)20(27)17(3021)1013815(22)18(2912(2)26)16(913)283h410H13H3b1710+
MFCD04442028
ZINC000016730828
ZINC16730828
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