Vitas-M small molecule compound
2-{[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)ethanone
Catalog ID
STL365591
SMILES COc1ccc(cc1)n1c(SCC(=O)c2cc(n(c2C)C2CC2)C)nnc1Cc1ccccc1
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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 C27H28N4O2S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2S/c1-18-15-24(19(2)30(18)21-9-10-21)25(32)17-34-27-29-28-26(16-20-7-5-4-6-8-20)31(27)22-11-13-23(33-3)14-12-22/h4-8,11-15,21H,9-10,16-17H2,1-3H3InChIKey
GFAWTAAIOVPILR-UHFFFAOYSA-NSynonyms
2((5benzyl4(4methoxyphenyl)124triazol3yl)sulfanyl)1(1cyclopropyl25dimethylpyrrol3yl)ethanone
2((5benzyl4(4methoxyphenyl)4H124triazol3yl)sulfanyl)1(1cyclopropyl25dimethyl1Hpyrrol3yl)ethanone
CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)OC)CC5=CC=CC=C5
InChI=1SC27H28N4O2Sc1181524(19(2)30(18)2191021)25(32)173427292826(16207546820)31(27)22111323(333)141222h48111521H9101617H213H3
MFCD14279768
ZINC000015019410
ZINC15019410
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