Vitas-M small molecule compound
3-(5-{(Z)-[5-iminio-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL054644
SMILES CCC(c1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3cccc(c3)C(=O)[O-])/C2=[NH2+])s1)CC
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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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c1-3-12(4-2)20-25-26-18(23)16(19(27)24-22(26)31-20)11-15-8-9-17(30-15)13-6-5-7-14(10-13)21(28)29/h5-12,23H,3-4H2,1-2H3,(H,28,29)/b16-11-,23-18?InChIKey
MRZBMZKIHDULCV-FWPSJRISSA-NSynonyms
3(5((Z)(5iminio7oxo2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
3(5((Z)(5imino7oxo2pentan3yl(134)thiadiazolo(32a)pyrimidin6ylidene)methyl)furan2yl)benzoicacid
CCC(c1nn2c(=NC(=O)C(=Cc3ccc(o3)c3cccc(c3)C(=O)(O))C2=(NH2+))s1)CC
CCC(CC)C1=NN2C(=N)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)N=C2S1
InChI=1SC22H20N4O4Sc1312(42)20252618(23)16(19(27)2422(26)3120)11158917(3015)1365714(1013)21(28)29h51223H34H212H3(H2829)b16112318?
MFCD05699694
ZINC000031983005
ZINC31983005
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