Vitas-M small molecule compound
N-{[5-{[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Catalog ID
STK261117
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)C#N)nnc1CNC(=O)c1cccc(c1)C
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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 C23H21N5O2S MW 431.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O2S/c1-3-11-28-21(14-25-22(30)19-6-4-5-16(2)12-19)26-27-23(28)31-15-20(29)18-9-7-17(13-24)8-10-18/h3-10,12H,1,11,14-15H2,2H3,(H,25,30)InChIKey
OAAOOLOHXYVSHT-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)C#N
InChI=1SC23H21N5O2Sc13112821(142522(30)1964516(2)1219)262723(28)311520(29)189717(1324)81018h31012H1111415H22H3(H2530)
MFCD08670596
N((5((2(4CYANOPHENYL)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5(2(4cyanophenyl)2oxoethyl)sulfanyl4prop2enyl124triazol3yl)methyl)3methylbenzamide
N(4ALLYL5(2(4CYANOPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)3METHYLBENZAMIDE
ZINC000009426809
ZINC09426809
ZINC9426809
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