Vitas-M small molecule compound
1-(biphenyl-4-yl)-2-{[5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}ethanone
Catalog ID
STK734973
SMILES O=C(c1ccc(cc1)c1ccccc1)CSc1nc2c(o1)ccc(c2)C12CC3CC(C2)CC(C1)C3
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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 C31H29NO2S MW 479.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29NO2S/c33-28(25-8-6-24(7-9-25)23-4-2-1-3-5-23)19-35-30-32-27-15-26(10-11-29(27)34-30)31-16-20-12-21(17-31)14-22(13-20)18-31/h1-11,15,20-22H,12-14,16-19H2InChIKey
FNVURSOOCLDBHI-UHFFFAOYSA-NSynonyms
1(biphenyl4yl)2((5(tricyclo(3311~37~)dec1yl)13benzoxazol2yl)sulfanyl)ethanone
2((5(1ADAMANTYL)13BENZOXAZOL2YL)SULFANYL)1(4PHENYLPHENYL)ETHANONE
C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)OC(=N5)SCC(=O)C6=CC=C(C=C6)C7=CC=CC=C7
InChI=1SC31H29NO2Sc3328(258624(7925)234213523)19353032271526(101129(27)3430)3116201221(1731)1422(1320)1831h111152022H12141619H2
MFCD05259432
ZINC000012376967
ZINC12376967
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