Vitas-M small molecule compound
2-{[5-benzyl-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Catalog ID
STL375535
SMILES O=C(Nc1c(C)cccc1C)CSc1nnc(n1c1ccc(c(c1)C)C)Cc1ccccc1
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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 C27H28N4OS MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4OS/c1-18-13-14-23(15-21(18)4)31-24(16-22-11-6-5-7-12-22)29-30-27(31)33-17-25(32)28-26-19(2)9-8-10-20(26)3/h5-15H,16-17H2,1-4H3,(H,28,32)InChIKey
KFOCDVRFLQNBEL-UHFFFAOYSA-NSynonyms
2((5BENZYL4(34DIMETHYLPHENYL)124TRIAZOL3YL)SULFANYL)N(26DIMETHYLPHENYL)ACETAMIDE
2((5benzyl4(34dimethylphenyl)4H124triazol3yl)sulfanyl)N(26dimethylphenyl)acetamide
CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C3=CC(=C(C=C3)C)C)CC4=CC=CC=C4
InChI=1SC27H28N4OSc118131423(1521(18)4)3124(1622116571222)293027(31)331725(32)282619(2)981020(26)3h515H1617H214H3(H2832)
MFCD03862089
ZINC000002128611
ZINC02128611
ZINC2128611
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