Vitas-M small molecule compound

N-(3-methyl-1-{[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino}-1-oxobutan-2-yl)benzamide

Catalog ID
STK594127
SMILES CSCC[C@@H](c1nnc2n1cccc2)NC(=O)C(C(C)C)NC(=O)c1ccccc1

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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 C22H27N5O2S MW 425.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O2S/c1-15(2)19(24-21(28)16-9-5-4-6-10-16)22(29)23-17(12-14-30-3)20-26-25-18-11-7-8-13-27(18)20/h4-11,13,15,17,19H,12,14H2,1-3H3,(H,23,29)(H,24,28)/t17-,19?/m0/s1
InChIKey
MDQBZUKGHLEKLY-KKFHFHRHSA-N
Synonyms
1192881-52-9
1192881529
CC(C)C(C(=O)NC(CCSC)C1=NN=C2N1C=CC=C2)NC(=O)C3=CC=CC=C3
CSCC(C@@H)(c1nnc2n1cccc2)NC(=O)C(C(C)C)NC(=O)c1ccccc1
InChI=1SC22H27N5O2Sc115(2)19(2421(28)1695461016)22(29)2317(1214303)2026251811781327(18)20h41113151719H1214H213H3(H2329)(H2428)t1719?m0s1
MFCD10488304
N(1(((S)1((124)triazolo(43a)pyridin3yl)3(methylthio)propyl)amino)3methyl1oxobutan2yl)benzamide
N(3methyl1(((1S)3(methylsulfanyl)1((124)triazolo(43a)pyridin3yl)propyl)amino)1oxobutan2yl)benzamide
N(3methyl1(((1S)3methylsulfanyl1((124)triazolo(43a)pyridin3yl)propyl)amino)1oxobutan2yl)benzamide
ZINC000005483870
ZINC000005483875

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Available files

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