Vitas-M small molecule compound
4'-[3-ethoxy-5-(hexylsulfanyl)-4H-1,2,4-triazol-4-yl]-N-(3-methylphenyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
Catalog ID
STK524538
SMILES CCCCCCSc1nnc(n1C1=C(C(=O)Nc2cccc(c2)C)C2(Cc3c1cccc3)CCCCC2)OCC
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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 C33H42N4O2S MW 558.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N4O2S/c1-4-6-7-13-21-40-32-36-35-31(39-5-2)37(32)29-27-18-10-9-16-25(27)23-33(19-11-8-12-20-33)28(29)30(38)34-26-17-14-15-24(3)22-26/h9-10,14-18,22H,4-8,11-13,19-21,23H2,1-3H3,(H,34,38)InChIKey
XAGOINQTONLFOJ-UHFFFAOYSA-NSynonyms
1(3ETHOXY5HEXYLSULFANYL124TRIAZOL4YL)N(3METHYLPHENYL)SPIRO(4HNAPHTHALENE31CYCLOHEXANE)2CARBOXAMIDE
4(3ethoxy5(hexylsulfanyl)4H124triazol4yl)N(3methylphenyl)1Hspiro(cyclohexane12naphthalene)3carboxamide
4(3ethoxy5(hexylthio)4H124triazol4yl)N(mtolyl)1Hspiro(cyclohexane12naphthalene)3carboxamide
CCCCCCSC1=NN=C(N1C2=C(C3(CCCCC3)CC4=CC=CC=C42)C(=O)NC5=CC=CC(=C5)C)OCC
InChI=1SC33H42N4O2Sc146713214032363531(3952)37(32)2927181091625(27)2333(19118122033)28(29)30(38)342617141524(3)2226h910141822H481113192123H213H3(H3438)
MFCD01944332
ZINC000102399877
ZINC102399877
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