Vitas-M small molecule compound
(6Z)-6-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK019630
SMILES COc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
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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 C32H32N4O5S MW 584.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4O5S/c1-32(2,3)22-11-13-24(14-12-22)39-16-17-40-26-15-10-21(19-27(26)38-4)18-25-29(33)36-31(34-30(25)37)42-28(35-36)20-41-23-8-6-5-7-9-23/h5-15,18-19,33H,16-17,20H2,1-4H3/b25-18-,33-29-InChIKey
DEFKFJPQTSJTRY-RKHRAQARSA-NSynonyms
(6Z)6(4(2(4tertbutylphenoxy)ethoxy)3methoxybenzylidene)5imino2(phenoxymethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1
MFCD02603740
STK019630
ZINC000097958011
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