Vitas-M small molecule compound

2-ethoxy-4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 2-chlorobenzoate

Catalog ID
STL240567
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1Cl)/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 C26H18ClN5O4S MW 531.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClN5O4S/c1-2-35-21-13-15(9-10-20(21)36-25(34)17-7-3-4-8-19(17)27)12-18-22(28)32-26(30-23(18)33)37-24(31-32)16-6-5-11-29-14-16/h3-14,28H,2H2,1H3/b18-12-,28-22-
InChIKey
PUHDVGWSRYCKFC-ADQVBEEMSA-N
Synonyms
848744-35-4
(Z)2ethoxy4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl2chlorobenzoate
2ethoxy4((Z)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl2chlorobenzoate
848744354
CCOc1cc(ccc1OC(=O)c1ccccc1Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04195529
ZINC000101170511

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Available files

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