Vitas-M small molecule compound
2-chloro-4-{(E)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-6-methoxyphenyl 3-methoxybenzoate
Catalog ID
STL236023
SMILES COc1cccc(c1)C(=O)Oc1c(Cl)cc(cc1OC)/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 C26H18ClN5O5S MW 547.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClN5O5S/c1-35-17-7-3-5-15(12-17)25(34)37-21-19(27)10-14(11-20(21)36-2)9-18-22(28)32-26(30-23(18)33)38-24(31-32)16-6-4-8-29-13-16/h3-13,28H,1-2H3/b18-9+,28-22-InChIKey
DCEXHFPXPWKBDQ-CCKFEPSGSA-NSynonyms
844831-36-3(E)2chloro4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)6methoxyphenyl3methoxybenzoate
2chloro4((E)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)6methoxyphenyl3methoxybenzoate
844831363
COc1cccc(c1)C(=O)Oc1c(Cl)cc(cc1OC)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04161939
ZINC000101102289
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