Vitas-M small molecule compound
2-({[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Catalog ID
STK328915
SMILES COc1ccc(cc1)/C=C/C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCCC2
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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 C22H25N3O3S2 MW 443.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S2/c1-28-15-11-8-14(9-12-15)10-13-18(26)24-22(29)25-21-19(20(23)27)16-6-4-2-3-5-7-17(16)30-21/h8-13H,2-7H2,1H3,(H2,23,27)(H2,24,25,26,29)/b13-10+InChIKey
OIHZTENKJNNHAE-JLHYYAGUSA-NSynonyms
933217-65-32((((2E)3(4methoxyphenyl)prop2enoyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
2(((E)3(4methoxyphenyl)prop2enoyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxamide
933217653
COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)N
COc1ccc(cc1)C=CC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCCC2
InChI=1SC22H25N3O3S2c1281511814(91215)101318(26)2422(29)252119(20(23)27)1664235717(16)3021h813H27H21H3(H22327)(H224252629)b1310+
MFCD01994056
ZINC000018191273
ZINC18191273
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