Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STL415890
SMILES O=C(N1CCCC1)CSc1nnc(n1c1ccccc1)Cc1ccc2c(c1)OCCCO2
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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 C24H26N4O3S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O3S/c29-23(27-11-4-5-12-27)17-32-24-26-25-22(28(24)19-7-2-1-3-8-19)16-18-9-10-20-21(15-18)31-14-6-13-30-20/h1-3,7-10,15H,4-6,11-14,16-17H2InChIKey
KXFXSXFKGRBQJS-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7ylmethyl)4phenyl124triazol3yl)sulfanyl)1pyrrolidin1ylethanone
2((5(34dihydro2H15benzodioxepin7ylmethyl)4phenyl4H124triazol3yl)sulfanyl)1(pyrrolidin1yl)ethanone
C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC5=C(C=C4)OCCCO5
InChI=1SC24H26N4O3Sc2923(2711451227)173224262522(28(24)197213819)16189102021(1518)31146133020h1371015H4611141617H2
MFCD30706852
ZINC000101160762
ZINC101160762
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