Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-indol-3-yl)ethanone
Catalog ID
STL406107
SMILES O=C(c1c[nH]c2c1cccc2)CSc1nnc(n1C(C)C)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 C24H24N4O3S MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O3S/c1-15(2)28-23(16-8-9-21-22(12-16)31-11-5-10-30-21)26-27-24(28)32-14-20(29)18-13-25-19-7-4-3-6-17(18)19/h3-4,6-9,12-13,15,25H,5,10-11,14H2,1-2H3InChIKey
IHBWKIMTLGFAAW-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)1(1Hindol3yl)ethanone
2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)1(1Hindol3yl)ethanone
CC(C)N1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5
InChI=1SC24H24N4O3Sc115(2)2823(16892122(1216)31115103021)262724(28)321420(29)18132519743617(18)19h346912131525H5101114H212H3
MFCD27220711
O=C(c1c(nH)c2c1cccc2)CSc1nnc(n1C(C)C)c1ccc2c(c1)OCCCO2
ZINC000021723334
ZINC21723334
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