Vitas-M small molecule compound
2-(naphthalen-2-yloxy)-1-[(7E)-3-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Catalog ID
STL286786
SMILES O=C(N1N=C2C(C1c1cccs1)CCC/C/2=C\c1cccs1)COc1ccc2c(c1)cccc2
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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 C28H24N2O2S2 MW 484.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O2S2/c31-26(18-32-22-13-12-19-6-1-2-7-20(19)16-22)30-28(25-11-5-15-34-25)24-10-3-8-21(27(24)29-30)17-23-9-4-14-33-23/h1-2,4-7,9,11-17,24,28H,3,8,10,18H2/b21-17+InChIKey
CJNZTWBLRZZOGU-HEHNFIMWSA-NSynonyms
2(naphthalen2yloxy)1((7E)3(thiophen2yl)7(thiophen2ylmethylidene)33a4567hexahydro2Hindazol2yl)ethanone
2NAPHTHALEN2YLOXY1((7E)3THIOPHEN2YL7(THIOPHEN2YLMETHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)ETHANONE
C1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C(=O)COC4=CC5=CC=CC=C5C=C4)C6=CC=CS6
InChI=1SC28H24N2O2S2c3126(183222131219612720(19)1622)3028(25115153425)24103821(27(24)2930)172394143323h1247911172428H381018H2b2117+
MFCD02699456
O=C(N1N=C2C(C1c1cccs1)CCCC2=Cc1cccs1)COc1ccc2c(c1)cccc2
ZINC000012489019
ZINC000012489052
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