Vitas-M small molecule compound
(6Z)-6-{3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzylidene}-5-imino-2-[(2-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK097861
SMILES CCOc1cc(ccc1OCCCOc1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C
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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/c1-4-38-28-19-23(12-15-27(28)40-17-7-16-39-24-13-10-21(2)11-14-24)18-25-30(33)36-32(34-31(25)37)42-29(35-36)20-41-26-9-6-5-8-22(26)3/h5-6,8-15,18-19,33H,4,7,16-17,20H2,1-3H3/b25-18-,33-30-InChIKey
QKWOBMLCEJCYMW-CXAPFNSXSA-NSynonyms
(6Z)6(3ethoxy4(3(4methylphenoxy)propoxy)benzylidene)5imino2((2methylphenoxy)methyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCOc1cc(ccc1OCCCOc1ccc(cc1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C
MFCD03567606
STK097861
ZINC000097959442
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