Vitas-M small molecule compound
1-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STL365589
SMILES COc1ccc(cc1)n1c(SCC(=O)c2cc(n(c2C)C2CC2)C)nnc1c1ccccc1
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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 C26H26N4O2S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2S/c1-17-15-23(18(2)29(17)20-9-10-20)24(31)16-33-26-28-27-25(19-7-5-4-6-8-19)30(26)21-11-13-22(32-3)14-12-21/h4-8,11-15,20H,9-10,16H2,1-3H3InChIKey
CIFXPCPYRASXCW-UHFFFAOYSA-NSynonyms
1(1cyclopropyl25dimethyl1Hpyrrol3yl)2((4(4methoxyphenyl)5phenyl4H124triazol3yl)sulfanyl)ethanone
1(1cyclopropyl25dimethylpyrrol3yl)2((4(4methoxyphenyl)5phenyl124triazol3yl)sulfanyl)ethanone
CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=CC=C5
InChI=1SC26H26N4O2Sc1171523(18(2)29(17)2091020)24(31)163326282725(197546819)30(26)21111322(323)141221h48111520H91016H213H3
MFCD05606503
ZINC000015019402
ZINC15019402
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