Vitas-M small molecule compound

4-(1H-indol-3-ylcarbonyl)-N-[(2S)-4-(methylsulfanyl)-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperazine-1-carboxamide

Catalog ID
STK622088
SMILES CSCC[C@@H](C(=O)Nc1nccs1)NC(=O)N1CCN(CC1)C(=O)c1c[nH]c2c1cccc2

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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 C22H26N6O3S2 MW 486.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O3S2/c1-32-12-6-18(19(29)26-21-23-7-13-33-21)25-22(31)28-10-8-27(9-11-28)20(30)16-14-24-17-5-3-2-4-15(16)17/h2-5,7,13-14,18,24H,6,8-12H2,1H3,(H,25,31)(H,23,26,29)/t18-/m0/s1
InChIKey
KVTCAKYWHCZVMT-SFHVURJKSA-N
Synonyms
956147-96-9
(S)4(1Hindole3carbonyl)N(4(methylthio)1oxo1(thiazol2ylamino)butan2yl)piperazine1carboxamide
4(1Hindol3ylcarbonyl)N((2S)4(methylsulfanyl)1oxo1(13thiazol2ylamino)butan2yl)piperazine1carboxamide
4(1Hindole3carbonyl)N((2S)4methylsulfanyl1oxo1(13thiazol2ylamino)butan2yl)piperazine1carboxamide
956147969
CSCC(C@@H)(C(=O)Nc1nccs1)NC(=O)N1CCN(CC1)C(=O)c1c(nH)c2c1cccc2
CSCCC(C(=O)NC1=NC=CS1)NC(=O)N2CCN(CC2)C(=O)C3=CNC4=CC=CC=C43
InChI=1SC22H26N6O3S2c13212618(19(29)2621237133321)2522(31)2810827(91128)20(30)16142417532415(16)17h25713141824H6812H21H3(H2531)(H232629)t18m0s1
MFCD09793417
ZINC000008991249
ZINC08991249
ZINC8991249

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.