Vitas-M small molecule compound
(6E)-6-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxybenzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK068092
SMILES CCOc1cc(ccc1OCCOc1ccc(c(c1)C)C)/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 C26H28N4O4S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4S/c1-5-23-29-30-24(27)20(25(31)28-26(30)35-23)14-18-8-10-21(22(15-18)32-6-2)34-12-11-33-19-9-7-16(3)17(4)13-19/h7-10,13-15,27H,5-6,11-12H2,1-4H3/b20-14+,27-24+InChIKey
PVCAGSCCALGWOC-MOJBOXJZSA-NSynonyms
(6E)6(4(2(34dimethylphenoxy)ethoxy)3ethoxybenzylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(2(34dimethylphenoxy)ethoxy)3ethoxybenzylidene)2ethyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCOc1cc(ccc1OCCOc1ccc(c(c1)C)C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC
MFCD03183258
STK068092
ZINC000013898134
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