Vitas-M small molecule compound
(6Z)-5-imino-6-{[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL145940
SMILES COc1cccc(c1)n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C
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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 C22H23N5O2S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2S/c1-12(2)21-25-27-19(23)18(20(28)24-22(27)30-21)10-15-9-13(3)26(14(15)4)16-7-6-8-17(11-16)29-5/h6-12,23H,1-5H3/b18-10-,23-19-InChIKey
XUSHPJMUZHYKHB-KHBFYKMDSA-NSynonyms
(6Z)5imino6((1(3methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino2isopropyl6((1(3methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C
MFCD20731920
ZINC000033935257
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