Vitas-M small molecule compound

4-chloro-N-{2-[5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide

Catalog ID
STK246042
SMILES C=CCn1c(CCNC(=O)c2ccc(cc2)Cl)nnc1SCC(=O)N1CCCc2c1cccc2

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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 C25H26ClN5O2S MW 496.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClN5O2S/c1-2-15-31-22(13-14-27-24(33)19-9-11-20(26)12-10-19)28-29-25(31)34-17-23(32)30-16-5-7-18-6-3-4-8-21(18)30/h2-4,6,8-12H,1,5,7,13-17H2,(H,27,33)
InChIKey
YMQZCVZVAKGBLO-UHFFFAOYSA-N
Synonyms

4CHLORON(2(5((2(34DIHYDROQUINOLIN1(2H)YL)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4chloroN(2(5(2(34dihydro2Hquinolin1yl)2oxoethyl)sulfanyl4prop2enyl124triazol3yl)ethyl)benzamide
C=CCN1C(=NN=C1SCC(=O)N2CCCC3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)Cl
InChI=1SC25H26ClN5O2Sc12153122(13142724(33)1991120(26)121019)282925(31)341723(32)30165718634821(18)30h246812H1571317H2(H2733)
MFCD08670925
N(2(4ALLYL5(2(34DIHYDRO2HQUINOLIN1YL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)4CHLOROBENZAMIDE
ZINC000009328717
ZINC09328717
ZINC9328717

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Available files

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