Vitas-M small molecule compound

4'-{3-ethoxy-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-yl}-N-(3-methylphenyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide

Catalog ID
STK524417
SMILES CCOc1nnc(n1C1=C(C(=O)Nc2cccc(c2)C)C2(Cc3c1cccc3)CCCCC2)SCC(=C)C

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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 C31H36N4O2S MW 528.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O2S/c1-5-37-29-33-34-30(38-20-21(2)3)35(29)27-25-15-8-7-13-23(25)19-31(16-9-6-10-17-31)26(27)28(36)32-24-14-11-12-22(4)18-24/h7-8,11-15,18H,2,5-6,9-10,16-17,19-20H2,1,3-4H3,(H,32,36)
InChIKey
HLWNWNOMFZASPD-UHFFFAOYSA-N
Synonyms
374089-98-2
1(3ETHOXY5(2METHYLPROP2ENYLSULFANYL)124TRIAZOL4YL)N(3METHYLPHENYL)SPIRO(4HNAPHTHALENE31CYCLOHEXANE)2CARBOXAMIDE
374089982
4(3ethoxy5((2methylallyl)thio)4H124triazol4yl)N(mtolyl)1Hspiro(cyclohexane12naphthalene)3carboxamide
4(3ethoxy5((2methylprop2en1yl)sulfanyl)4H124triazol4yl)N(3methylphenyl)1Hspiro(cyclohexane12naphthalene)3carboxamide
CCOC1=NN=C(N1C2=C(C3(CCCCC3)CC4=CC=CC=C42)C(=O)NC5=CC=CC(=C5)C)SCC(=C)C
InChI=1SC31H36N4O2Sc153729333430(382021(2)3)35(29)272515871323(25)1931(1696101731)26(27)28(36)322414111222(4)1824h78111518H25691016171920H2134H3(H3236)
MFCD01950589
ZINC000002282856
ZINC02282856
ZINC2282856

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Available files

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