Vitas-M small molecule compound

methyl 2-{5-[(Z)-{5-imino-2-[(2-methylphenoxy)methyl]-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoate

Catalog ID
STK727489
SMILES COC(=O)c1ccccc1c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C

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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 C26H20N4O5S MW 500.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O5S/c1-15-7-3-6-10-20(15)34-14-22-29-30-23(27)19(24(31)28-26(30)36-22)13-16-11-12-21(35-16)17-8-4-5-9-18(17)25(32)33-2/h3-13,27H,14H2,1-2H3/b19-13-,27-23-
InChIKey
WXIQNIXNFAJGOP-ILUWOZFOSA-N
Synonyms
532981-54-7
(Z)methyl2(5((5imino7oxo2((otolyloxy)methyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
532981547
COC(=O)c1ccccc1c1ccc(o1)C=C1C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C
methyl2(5((Z)(5imino2((2methylphenoxy)methyl)7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
MFCD03570793
ZINC000008767873

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Available files

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