Vitas-M small molecule compound
(6E)-6-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK051163
SMILES COc1cc(cc(c1OCc1ccccc1C)Br)/C=C\1/C(=O)N=c2n(C1=N)ncs2
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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 C21H17BrN4O3S MW 485.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O3S/c1-12-5-3-4-6-14(12)10-29-18-16(22)8-13(9-17(18)28-2)7-15-19(23)26-21(25-20(15)27)30-11-24-26/h3-9,11,23H,10H2,1-2H3/b15-7+,23-19-InChIKey
JRVAODROPHNDMZ-UTIMIMDUSA-NSynonyms
(6E)6(3bromo5methoxy4((2methylbenzyl)oxy)benzylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(cc(c1OCc1ccccc1C)Br)C=C1C(=O)N=c2n(C1=N)ncs2
MFCD05977378
STK051163
ZINC000013943634
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