Vitas-M small molecule compound
2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-indol-3-yl)ethanone
Catalog ID
STL415942
SMILES O=C(c1c[nH]c2c1cccc2)CSc1nnc(n1C1CC1)c1ccc2c(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 C24H22N4O3S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3S/c29-20(18-13-25-19-5-2-1-4-17(18)19)14-32-24-27-26-23(28(24)16-7-8-16)15-6-9-21-22(12-15)31-11-3-10-30-21/h1-2,4-6,9,12-13,16,25H,3,7-8,10-11,14H2InChIKey
YGYUQNNEPBSYJN-UHFFFAOYSA-NSynonyms
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)1(1Hindol3yl)ethanone
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)1(1Hindol3yl)ethanone
C1COC2=C(C=C(C=C2)C3=NN=C(N3C4CC4)SCC(=O)C5=CNC6=CC=CC=C65)OC1
InChI=1SC24H22N4O3Sc2920(18132519521417(18)19)143224272623(28(24)167816)15692122(1215)31113103021h1246912131625H378101114H2
MFCD27221078
O=C(c1c(nH)c2c1cccc2)CSc1nnc(n1C1CC1)c1ccc2c(c1)OCCCO2
ZINC000035453990
ZINC35453990
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