Vitas-M small molecule compound
2-[({3-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Catalog ID
STL384266
SMILES Brc1cnn(c1)Cc1cccc(c1)C(=O)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 C22H23BrN4O2S MW 487.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN4O2S/c23-16-11-25-27(13-16)12-14-6-5-7-15(10-14)21(29)26-22-19(20(24)28)17-8-3-1-2-4-9-18(17)30-22/h5-7,10-11,13H,1-4,8-9,12H2,(H2,24,28)(H,26,29)InChIKey
CKKPHWUGUUEMIT-UHFFFAOYSA-NSynonyms
514799-85-02(((3((4bromo1Hpyrazol1yl)methyl)phenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
2((3((4bromopyrazol1yl)methyl)benzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
514799850
C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)Br)C(=O)N
InChI=1SC22H23BrN4O2Sc2316112527(1316)121465715(1014)21(29)262219(20(24)28)1783124918(17)3022h57101113H148912H2(H22428)(H2629)
MFCD03757350
ZINC000000656172
ZINC00656172
ZINC656172
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