Vitas-M small molecule compound
2-chloro-4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 4-methylbenzoate
Catalog ID
STL233568
SMILES Cc1ccc(cc1)C(=O)Oc1ccc(cc1Cl)/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 C25H16ClN5O3S MW 501.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16ClN5O3S/c1-14-4-7-16(8-5-14)24(33)34-20-9-6-15(12-19(20)26)11-18-21(27)31-25(29-22(18)32)35-23(30-31)17-3-2-10-28-13-17/h2-13,27H,1H3/b18-11-,27-21-InChIKey
XOZKLOLELHVESH-PODBRPKXSA-NSynonyms
845799-60-2(Z)2chloro4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzoate
2chloro4((Z)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4methylbenzoate
845799602
Cc1ccc(cc1)C(=O)Oc1ccc(cc1Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04169721
ZINC000009281897
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