Vitas-M small molecule compound
(6Z)-6-(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK075352
SMILES C=CCc1ccccc1OCCOc1c(Br)cc(cc1OC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC
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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 C26H25BrN4O4S MW 569.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN4O4S/c1-4-8-17-9-6-7-10-20(17)34-11-12-35-23-19(27)14-16(15-21(23)33-3)13-18-24(28)31-26(29-25(18)32)36-22(5-2)30-31/h4,6-7,9-10,13-15,28H,1,5,8,11-12H2,2-3H3/b18-13-,28-24-InChIKey
PSERDCADHWMWKS-WCXXDFHNSA-NSynonyms
(6Z)6(3bromo5methoxy4(2(2(prop2en1yl)phenoxy)ethoxy)benzylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
C=CCc1ccccc1OCCOc1c(Br)cc(cc1OC)C=C1C(=O)N=c2n(C1=N)nc(s2)CC
MFCD02109864
STK075352
ZINC000100642179
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