Vitas-M small molecule compound
(6Z)-6-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e][1,3]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione
Catalog ID
STK676073
SMILES Brc1cc2OCOc2cc1/C=c/1\sc2=NC3(C(Nn2c1=O)(c1ccccc1)N(C(=O)N3C)C)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 C28H22BrN5O4S MW 604.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22BrN5O4S/c1-32-26(36)33(2)28(19-11-7-4-8-12-19)27(32,18-9-5-3-6-10-18)30-25-34(31-28)24(35)23(39-25)14-17-13-21-22(15-20(17)29)38-16-37-21/h3-15,31H,16H2,1-2H3/b23-14-InChIKey
LQIIWGUYJZZPTB-UCQKPKSFSA-NSynonyms
(6Z)6((6bromo13benzodioxol5yl)methylidene)13dimethyl3a9adiphenyl33a99atetrahydroimidazo(45e)(13)thiazolo(32b)(124)triazine27(1H6H)dione
Brc1cc2OCOc2cc1C=c1sc2=NC3(C(Nn2c1=O)(c1ccccc1)N(C(=O)N3C)C)c1ccccc1
CN1C(=O)N(C2(C1(NN3C(=O)C(=CC4=CC5=C(C=C4Br)OCO5)SC3=N2)C6=CC=CC=C6)C7=CC=CC=C7)C
InChI=1SC28H22BrN5O4Sc13226(36)33(2)28(19117481219)27(321895361018)302534(3128)24(35)23(3925)1417132122(1520(17)29)38163721h31531H16H212H3b2314
MFCD01871069
ZINC000098002772
ZINC000098002775
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