Vitas-M small molecule compound
(6Z)-6-{4-[(4-bromobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK836446
SMILES COc1cc(ccc1OCc1ccc(cc1)Br)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)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 C23H21BrN4O3S MW 513.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN4O3S/c1-13(2)22-27-28-20(25)17(21(29)26-23(28)32-22)10-15-6-9-18(19(11-15)30-3)31-12-14-4-7-16(24)8-5-14/h4-11,13,25H,12H2,1-3H3/b17-10-,25-20-InChIKey
QXPNDKXZCXKZJW-FQNSLJSWSA-NSynonyms
(6Z)6(4((4bromobenzyl)oxy)3methoxybenzylidene)5imino2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4((4bromobenzyl)oxy)3methoxybenzylidene)5imino2isopropyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1cc(ccc1OCc1ccc(cc1)Br)C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C
MFCD02118540
ZINC000008837787
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