Vitas-M small molecule compound
N-(3,4-dimethylphenyl)-2-[5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]acetamide
Catalog ID
STL122371
SMILES C=CCn1c(nnc1SCC(=O)c1cn(c2c1cccc2)CC)CC(=O)Nc1ccc(c(c1)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 C27H29N5O2S MW 487.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O2S/c1-5-13-32-25(15-26(34)28-20-12-11-18(3)19(4)14-20)29-30-27(32)35-17-24(33)22-16-31(6-2)23-10-8-7-9-21(22)23/h5,7-12,14,16H,1,6,13,15,17H2,2-4H3,(H,28,34)InChIKey
NWCGBRIGEJXDCM-UHFFFAOYSA-NSynonyms
CCN1C=C(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3CC=C)CC(=O)NC4=CC(=C(C=C4)C)C
InChI=1SC27H29N5O2Sc15133225(1526(34)2820121118(3)19(4)1420)293027(32)351724(33)221631(62)231087921(22)23h57121416H16131517H224H3(H2834)
MFCD18434681
N(34dimethylphenyl)2(5((2(1ethyl1Hindol3yl)2oxoethyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)acetamide
N(34dimethylphenyl)2(5(2(1ethylindol3yl)2oxoethyl)sulfanyl4prop2enyl124triazol3yl)acetamide
ZINC000057291697
ZINC57291697
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