Vitas-M small molecule compound
2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Catalog ID
STK538969
SMILES O=C(NC(=S)Nc1sc2c(c1C(=O)N)CCCCCC2)/C=C/c1ccc(cc1)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 C22H25N3O2S2 MW 427.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O2S2/c1-14-8-10-15(11-9-14)12-13-18(26)24-22(28)25-21-19(20(23)27)16-6-4-2-3-5-7-17(16)29-21/h8-13H,2-7H2,1H3,(H2,23,27)(H2,24,25,26,28)/b13-12+InChIKey
AQXOVEVIVLHDLL-OUKQBFOZSA-NSynonyms
370576-64-0(E)2(3(3(ptolyl)acryloyl)thioureido)456789hexahydrocycloocta(b)thiophene3carboxamide
2((((2E)3(4methylphenyl)prop2enoyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
2(((E)3(4methylphenyl)prop2enoyl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxamide
370576640
CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)N
InChI=1SC22H25N3O2S2c11481015(11914)121318(26)2422(28)252119(20(23)27)1664235717(16)2921h813H27H21H3(H22327)(H224252628)b1312+
MFCD01994055
O=C(NC(=S)Nc1sc2c(c1C(=O)N)CCCCCC2)C=Cc1ccc(cc1)C
ZINC000002316662
ZINC02316662
ZINC2316662
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