Vitas-M small molecule compound
N-{[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Catalog ID
STK133443
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2C)C)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 C24H27N5O2S MW 449.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O2S/c1-5-12-29-21(14-25-23(31)19-10-6-8-16(2)13-19)27-28-24(29)32-15-22(30)26-20-11-7-9-17(3)18(20)4/h5-11,13H,1,12,14-15H2,2-4H3,(H,25,31)(H,26,30)InChIKey
KDOZUPWEMAWDSJ-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC(=CC=C3)C)C
InChI=1SC24H27N5O2Sc15122921(142523(31)19106816(2)1319)272824(29)321522(30)2620117917(3)18(20)4h51113H1121415H224H3(H2531)(H2630)
MFCD04218867
N((5((2((23DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5(2(23DIMETHYLANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N(4ALLYL5((23DIMETHYLPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)3METHYLBENZAMIDE
ZINC000001114299
ZINC01114299
ZINC1114299
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