Vitas-M small molecule compound
(6Z)-6-{2-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxybenzylidene}-5-imino-2-[(2-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK008296
SMILES COc1cccc(c1OCCCOc1cc(C)ccc1C)/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/c1-20-13-14-22(3)27(17-20)39-15-8-16-40-29-23(10-7-12-26(29)38-4)18-24-30(33)36-32(34-31(24)37)42-28(35-36)19-41-25-11-6-5-9-21(25)2/h5-7,9-14,17-18,33H,8,15-16,19H2,1-4H3/b24-18-,33-30-InChIKey
PKIVCFAOIGHJCH-PFUVGNFVSA-NSynonyms
(6Z)6(2(3(25dimethylphenoxy)propoxy)3methoxybenzylidene)5imino2((2methylphenoxy)methyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cccc(c1OCCCOc1cc(C)ccc1C)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C
MFCD03567605
STK008296
ZINC000097957832
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