Vitas-M small molecule compound
(6Z)-5-imino-6-{3-methoxy-4-[3-(3-methylphenoxy)propoxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK567970
SMILES COc1cc(ccc1OCCCOc1cccc(c1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
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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 C28H25N5O4S MW 527.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O4S/c1-18-6-3-8-21(14-18)36-12-5-13-37-23-10-9-19(16-24(23)35-2)15-22-25(29)33-28(31-26(22)34)38-27(32-33)20-7-4-11-30-17-20/h3-4,6-11,14-17,29H,5,12-13H2,1-2H3/b22-15-,29-25-InChIKey
NVHZHTVBCPXKFJ-RORORGNRSA-NSynonyms
(6Z)5imino6(3methoxy4(3(3methylphenoxy)propoxy)benzylidene)2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino6(3methoxy4(3(mtolyloxy)propoxy)benzylidene)2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
900274397
COc1cc(ccc1OCCCOc1cccc(c1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD06613398
ZINC000101314656
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