Vitas-M small molecule compound
methyl 4-(5-{(Z)-[5-imino-7-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK835864
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C
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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/c1-11(2)19-24-25-17(22)15(18(26)23-21(25)30-19)10-14-8-9-16(29-14)12-4-6-13(7-5-12)20(27)28-3/h4-11,22H,1-3H3/b15-10-,22-17-InChIKey
WPYLIEXTYABALV-SEYLYMIZSA-NSynonyms
(Z)methyl4(5((5imino2isopropyl7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
COC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C
methyl4(5((Z)(5imino7oxo2(propan2yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
MFCD02118053
ZINC000003864081
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