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 3-methylbenzoate
Catalog ID
STL236195
SMILES Cc1cccc(c1)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/c1-14-4-2-5-16(10-14)24(33)34-20-8-7-15(12-19(20)26)11-18-21(27)31-25(29-22(18)32)35-23(30-31)17-6-3-9-28-13-17/h2-13,27H,1H3/b18-11-,27-21-InChIKey
BNWQDXXPXIBSLP-PODBRPKXSA-NSynonyms
845668-94-2(Z)2chloro4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl3methylbenzoate
2chloro4((Z)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl3methylbenzoate
845668942
Cc1cccc(c1)C(=O)Oc1ccc(cc1Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04169400
ZINC000009281844
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