Vitas-M small molecule compound
(6E)-6-{4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxybenzylidene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK006135
SMILES COc1cc(ccc1OCCCOc1cc(C)cc(c1)C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)C
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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 C25H26N4O4S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4S/c1-15-10-16(2)12-19(11-15)32-8-5-9-33-21-7-6-18(14-22(21)31-4)13-20-23(26)29-25(27-24(20)30)34-17(3)28-29/h6-7,10-14,26H,5,8-9H2,1-4H3/b20-13+,26-23+InChIKey
VRPOTXVBVBHOKM-OVUHUNGESA-NSynonyms
(6E)6(4(3(35dimethylphenoxy)propoxy)3methoxybenzylidene)5imino2methyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(ccc1OCCCOc1cc(C)cc(c1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)C
MFCD08049202
STK006135
ZINC000012285292
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