Vitas-M small molecule compound
(6Z)-5-imino-6-{3-iodo-5-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK153918
SMILES COc1cc(cc(c1OCc1cccc(c1)C)I)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)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 C28H23IN4O3S MW 622.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23IN4O3S/c1-16-7-9-20(10-8-16)27-32-33-25(30)21(26(34)31-28(33)37-27)12-19-13-22(29)24(23(14-19)35-3)36-15-18-6-4-5-17(2)11-18/h4-14,30H,15H2,1-3H3/b21-12-,30-25-InChIKey
PVPYJNUHHWKGBG-NBVBYRINSA-NSynonyms
(6Z)5imino6(3iodo5methoxy4((3methylbenzyl)oxy)benzylidene)2(4methylphenyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(cc(c1OCc1cccc(c1)C)I)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)C
MFCD08672668
ZINC000097960174
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