Vitas-M small molecule compound
(6E)-6-({1-[4-(butan-2-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL239879
SMILES CCC(c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)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 C27H26N6OS MW 482.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N6OS/c1-5-16(2)19-8-10-22(11-9-19)32-17(3)13-21(18(32)4)14-23-24(28)33-27(30-25(23)34)35-26(31-33)20-7-6-12-29-15-20/h6-16,28H,5H2,1-4H3/b23-14+,28-24-InChIKey
UXUQPYYLQCQFGZ-MOEACLASSA-NSynonyms
845802-26-8(6E)6((1(4(butan2yl)phenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4(secbutyl)phenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
845802268
CCC(c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)C
MFCD04170553
ZINC000009281987
ZINC000009281988
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