Vitas-M small molecule compound
(6E)-5-imino-6-{[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL032762
SMILES COc1cc(ccc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)ncs2)[N+](=O)[O-]
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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 C19H16N6O4S MW 424.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N6O4S/c1-10-6-12(7-14-17(20)24-19(22-18(14)26)30-9-21-24)11(2)23(10)15-5-4-13(25(27)28)8-16(15)29-3/h4-9,20H,1-3H3/b14-7+,20-17-InChIKey
NDBHIFWZUJRCKC-QCMJLRSOSA-NSynonyms
713093-76-6(6E)5imino6((1(2methoxy4nitrophenyl)25dimethyl1Hpyrrol3yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((1(2methoxy4nitrophenyl)25dimethyl1Hpyrrol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
713093766
COc1cc(ccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)ncs2)(N+)(=O)(O)
MFCD05691482
ZINC000009244752
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