Vitas-M small molecule compound
(6E)-6-({1-[4-(butan-2-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-5-imino-2-(3-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224929
SMILES CCC(c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccc(c1)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 C29H29N5OS MW 495.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5OS/c1-6-18(3)21-10-12-24(13-11-21)33-19(4)15-23(20(33)5)16-25-26(30)34-29(31-27(25)35)36-28(32-34)22-9-7-8-17(2)14-22/h7-16,18,30H,6H2,1-5H3/b25-16+,30-26-InChIKey
VAPXYTICAKOESX-YBPUJKHQSA-NSynonyms
845902-87-6(6E)6((1(4(butan2yl)phenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(3methylphenyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4(secbutyl)phenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(mtolyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
845902876
CCC(c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccc(c1)C)C
MFCD04173205
ZINC000009282652
ZINC000009282653
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