Vitas-M small molecule compound

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

Catalog ID
STK245635
SMILES C=CCn1c(CCNC(=O)c2ccc(cc2)Cl)nnc1SCC(=O)c1cccc(c1)[N+](=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 C22H20ClN5O4S MW 485.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O4S/c1-2-12-27-20(10-11-24-21(30)15-6-8-17(23)9-7-15)25-26-22(27)33-14-19(29)16-4-3-5-18(13-16)28(31)32/h2-9,13H,1,10-12,14H2,(H,24,30)
InChIKey
AVPASZJEFVPQLU-UHFFFAOYSA-N
Synonyms

4CHLORON(2(5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4chloroN(2(5(2(3nitrophenyl)2oxoethyl)sulfanyl4prop2enyl124triazol3yl)ethyl)benzamide
C=CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CCNC(=O)C3=CC=C(C=C3)Cl
C=CCn1c(CCNC(=O)c2ccc(cc2)Cl)nnc1SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H20ClN5O4Sc12122720(10112421(30)156817(23)9715)252622(27)331419(29)1643518(1316)28(31)32h2913H1101214H2(H2430)
MFCD08670282
N(2(4ALLYL5(2(3NITROPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)4CHLOROBENZAMIDE
ZINC000009327697
ZINC09327697
ZINC9327697

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Available files

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