Vitas-M small molecule compound

2-(methylsulfanyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

Catalog ID
STK499441
SMILES COc1cc(cc(c1OC)OC)C1C=C(Nc2n1nc(n2)SC)C(=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 C16H18N4O5S MW 378.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O5S/c1-23-11-5-8(6-12(24-2)13(11)25-3)10-7-9(14(21)22)17-15-18-16(26-4)19-20(10)15/h5-7,10H,1-4H3,(H,21,22)(H,17,18,19)
InChIKey
FYPNQJKMNYNHBN-UHFFFAOYSA-N
Synonyms
1010936-15-8
1010936158
2(methylsulfanyl)7(345trimethoxyphenyl)47dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
2(methylthio)7(345trimethoxyphenyl)47dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
2methylsulfanyl7(345trimethoxyphenyl)17dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
COC1=CC(=CC(=C1OC)OC)C2C=C(N=C3N2NC(=N3)SC)C(=O)O
InChI=1SC16H18N4O5Sc1231158(612(242)13(11)253)1079(14(21)22)17151816(264)1920(10)15h5710H14H3(H2122)(H171819)
MFCD11855749
ZINC000012389282
ZINC000012389283

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Available files

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