Vitas-M small molecule compound
(6Z)-2-cyclohexyl-5-imino-6-{3-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK032240
SMILES COc1cc(ccc1OCCOc1cccc(c1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
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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 C28H30N4O4S MW 518.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O4S/c1-18-7-6-10-21(15-18)35-13-14-36-23-12-11-19(17-24(23)34-2)16-22-25(29)32-28(30-26(22)33)37-27(31-32)20-8-4-3-5-9-20/h6-7,10-12,15-17,20,29H,3-5,8-9,13-14H2,1-2H3/b22-16-,29-25-InChIKey
PDYVKOMJHQIXNF-SSAHIHCJSA-NSynonyms
(6Z)2cyclohexyl5imino6(3methoxy4(2(3methylphenoxy)ethoxy)benzylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(ccc1OCCOc1cccc(c1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
MFCD08050338
STK032240
ZINC000009144601
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