Vitas-M small molecule compound
methyl 2-{5-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK835902
SMILES CCCc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccccc3C(=O)OC)/C2=N)s1
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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-3-6-17-24-25-18(22)15(19(26)23-21(25)30-17)11-12-9-10-16(29-12)13-7-4-5-8-14(13)20(27)28-2/h4-5,7-11,22H,3,6H2,1-2H3/b15-11-,22-18-InChIKey
PXVGFYWOLHSGGD-ZQPSBJMQSA-NSynonyms
(Z)methyl2(5((5imino7oxo2propyl5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
CCCc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3ccccc3C(=O)OC)C2=N)s1
methyl2(5((Z)(5imino7oxo2propyl5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
MFCD02118052
ZINC000001249221
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