Vitas-M small molecule compound
(6Z)-5-imino-6-{3-methoxy-4-[(4-methylbenzyl)oxy]-5-(prop-2-en-1-yl)benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL235647
SMILES C=CCc1cc(cc(c1OCc1ccc(cc1)C)OC)/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 C29H25N5O3S MW 523.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O3S/c1-4-6-21-13-20(15-24(36-3)25(21)37-17-19-10-8-18(2)9-11-19)14-23-26(30)34-29(32-27(23)35)38-28(33-34)22-7-5-12-31-16-22/h4-5,7-16,30H,1,6,17H2,2-3H3/b23-14-,30-26-InChIKey
TWHCBFCUZWHOOZ-HGRUILATSA-NSynonyms
848732-24-1(6Z)5imino6(3methoxy4((4methylbenzyl)oxy)5(prop2en1yl)benzylidene)2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3allyl5methoxy4((4methylbenzyl)oxy)benzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848732241
C=CCc1cc(cc(c1OCc1ccc(cc1)C)OC)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04190151
ZINC000013778954
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