Vitas-M small molecule compound
N-{1-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methoxybenzamide
Catalog ID
STK186663
SMILES COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)Nc1cccc(c1C)C)C(C)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 C25H31N5O3S MW 481.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O3S/c1-15(2)22(27-24(32)18-10-12-19(33-6)13-11-18)23-28-29-25(30(23)5)34-14-21(31)26-20-9-7-8-16(3)17(20)4/h7-13,15,22H,14H2,1-6H3,(H,26,31)(H,27,32)InChIKey
UIHIIMPVNLMTML-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2C)C(C(C)C)NC(=O)C3=CC=C(C=C3)OC)C
InChI=1SC25H31N5O3Sc115(2)22(2724(32)18101219(336)131118)23282925(30(23)5)341421(31)262097816(3)17(20)4h7131522H14H216H3(H2631)(H2732)
MFCD05998872
N((1S)1(5((2((23DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)2METHYLPROPYL)4METHOXYBENZAMIDE
N(1(5((2((23DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)2METHYLPROPYL)4METHOXYBENZAMIDE
N(1(5(2(23DIMETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)2METHYLPROPYL)4METHOXYBENZAMIDE
ZINC000002866981
ZINC000002866982
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