Vitas-M small molecule compound
N-(2-bromo-4-nitrophenyl)-2-{[4-(4-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Catalog ID
STK925997
SMILES Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)Nc1ccc(cc1Br)[N+](=O)[O-]
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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 C26H21BrN6O4S2 MW 625.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN6O4S2/c1-14-6-8-15(9-7-14)31-23(35)22-17-4-2-3-5-20(17)39-24(22)32-25(31)29-30-26(32)38-13-21(34)28-19-11-10-16(33(36)37)12-18(19)27/h6-12H,2-5,13H2,1H3,(H,28,34)InChIKey
JTUSDGJGMZEFIG-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)NC5=C(C=C(C=C5)(N+)(=O)(O))Br)SC6=C3CCCC6
Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)Nc1ccc(cc1Br)(N+)(=O)(O)
InChI=1SC26H21BrN6O4S2c1146815(9714)3123(35)2217423520(17)3924(22)3225(31)293026(32)381321(34)2819111016(33(36)37)1218(19)27h612H2513H21H3(H2834)
MFCD04077571
N(2bromo4nitrophenyl)2((4(4methylphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
N(2bromo4nitrophenyl)2((5oxo4(ptolyl)456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
ZINC000150388891
ZINC150388891
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