Vitas-M small molecule compound
(6Z)-5-imino-6-{4-[3-(3-methoxyphenoxy)propoxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL238558
SMILES COc1cccc(c1)OCCCOc1ccc(cc1)/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 C27H23N5O4S MW 513.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O4S/c1-34-21-6-2-7-22(16-21)36-14-4-13-35-20-10-8-18(9-11-20)15-23-24(28)32-27(30-25(23)33)37-26(31-32)19-5-3-12-29-17-19/h2-3,5-12,15-17,28H,4,13-14H2,1H3/b23-15-,28-24-InChIKey
TXUWMAHQGHHIIW-IQGIQZAKSA-NSynonyms
848687-50-3(6Z)5imino6(4(3(3methoxyphenoxy)propoxy)benzylidene)2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino6(4(3(3methoxyphenoxy)propoxy)benzylidene)2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848687503
COc1cccc(c1)OCCCOc1ccc(cc1)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04192148
ZINC000002427556
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