Vitas-M small molecule compound
2-bromo-4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl thiophene-2-carboxylate
Catalog ID
STK659417
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Br)OC(=O)c1cccs1)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 C22H12BrN5O3S2 MW 538.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12BrN5O3S2/c23-15-10-12(5-6-16(15)31-21(30)17-4-2-8-32-17)9-14-18(24)28-22(26-19(14)29)33-20(27-28)13-3-1-7-25-11-13/h1-11,24H/b14-9-,24-18-InChIKey
PMUJEBNHJIACJR-ZFEVYQJFSA-NSynonyms
847339-72-4(Z)2bromo4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylthiophene2carboxylate
2bromo4((Z)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylthiophene2carboxylate
847339724
MFCD04180185
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(c(c1)Br)OC(=O)c1cccs1)c1cccnc1
ZINC000004481330
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