Vitas-M small molecule compound
N-{[5-({2-[(4-bromo-2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide
Catalog ID
STK132355
SMILES C=CCn1c(CNC(=O)c2ccc(cc2)OC)nnc1SCC(=O)Nc1ccc(c(c1C)C)Br
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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 C24H26BrN5O3S MW 544.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26BrN5O3S/c1-5-12-30-21(13-26-23(32)17-6-8-18(33-4)9-7-17)28-29-24(30)34-14-22(31)27-20-11-10-19(25)15(2)16(20)3/h5-11H,1,12-14H2,2-4H3,(H,26,32)(H,27,31)InChIKey
QAQSFBDXVCUZQN-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=C(C=C3)OC
InChI=1SC24H26BrN5O3Sc15123021(132623(32)176818(334)9717)282924(30)341422(31)2720111019(25)15(2)16(20)3h511H11214H224H3(H2632)(H2731)
MFCD04387755
N((5((2((4BROMO23DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
N((5(2(4BROMO23DIMETHYLANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
ZINC000002859441
ZINC2859441
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