Vitas-M small molecule compound
2-{[4-(4-methoxyphenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK807135
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nnc1C12CC3CC(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 C27H29N3O2S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S/c1-32-23-9-7-22(8-10-23)30-25(27-14-18-11-19(15-27)13-20(12-18)16-27)28-29-26(30)33-17-24(31)21-5-3-2-4-6-21/h2-10,18-20H,11-17H2,1H3InChIKey
BKDKCURPFPUHQX-UHFFFAOYSA-NSynonyms
2((4(4methoxyphenyl)5(tricyclo(3311~37~)dec1yl)4H124triazol3yl)sulfanyl)1phenylethanone
2((5(1ADAMANTYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5
InChI=1SC27H29N3O2Sc132239722(81023)3025(2714181119(1527)1320(1218)1627)282926(30)331724(31)215324621h2101820H1117H21H3
MFCD06257567
ZINC000015441256
ZINC15441256
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