Vitas-M small molecule compound
(6Z)-5-imino-6-{3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]benzylidene}-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK385667
SMILES COc1cc(ccc1OCCOc1ccc(cc1)[N+](=O)[O-])/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 C28H23N5O6S MW 557.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N5O6S/c1-17-3-6-19(7-4-17)27-31-32-25(29)22(26(34)30-28(32)40-27)15-18-5-12-23(24(16-18)37-2)39-14-13-38-21-10-8-20(9-11-21)33(35)36/h3-12,15-16,29H,13-14H2,1-2H3/b22-15-,29-25-InChIKey
WNRQBSVYCQHZND-RORORGNRSA-NSynonyms
(6Z)5imino6(3methoxy4(2(4nitrophenoxy)ethoxy)benzylidene)2(4methylphenyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(ccc1OCCOc1ccc(cc1)(N+)(=O)(O))C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)C
MFCD02914719
ZINC000101894184
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