Vitas-M small molecule compound
(6Z)-5-imino-6-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL225039
SMILES CCC(c1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(cc3)[N+](=O)[O-])/C2=N)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 C21H19N5O4S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O4S/c1-3-12(4-2)20-24-25-18(22)16(19(27)23-21(25)31-20)11-15-9-10-17(30-15)13-5-7-14(8-6-13)26(28)29/h5-12,22H,3-4H2,1-2H3/b16-11-,22-18-InChIKey
SIRQTULUHLAVLB-GYDJVBIGSA-NSynonyms
674812-02-3(6Z)5imino6((5(4nitrophenyl)furan2yl)methylidene)2(pentan3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino6((5(4nitrophenyl)furan2yl)methylene)2(pentan3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
674812023
CCC(c1nn2c(=NC(=O)C(=Cc3ccc(o3)c3ccc(cc3)(N+)(=O)(O))C2=N)s1)CC
MFCD04077199
ZINC000009185264
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