Vitas-M small molecule compound
(6E)-6-{5-bromo-2-[2-(4-methylphenoxy)ethoxy]benzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK063401
SMILES CCc1nn2c(=NC(=O)/C(=C/c3cc(Br)ccc3OCCOc3ccc(cc3)C)/C2=N)s1
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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/c1-3-20-27-28-21(25)18(22(29)26-23(28)32-20)13-15-12-16(24)6-9-19(15)31-11-10-30-17-7-4-14(2)5-8-17/h4-9,12-13,25H,3,10-11H2,1-2H3/b18-13+,25-21-InChIKey
DVORMRVZIRTGMB-NQWGEATPSA-NSynonyms
(6E)6(5bromo2(2(4methylphenoxy)ethoxy)benzylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(5bromo2(2(ptolyloxy)ethoxy)benzylidene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCc1nn2c(=NC(=O)C(=Cc3cc(Br)ccc3OCCOc3ccc(cc3)C)C2=N)s1
MFCD03183289
STK063401
ZINC000013897239
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