Vitas-M small molecule compound
4-(decyloxy)-N-{2-[(4-nitrobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide
Catalog ID
STK674378
SMILES CCCCCCCCCCOc1ccc(cc1)C(=O)Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)[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 C31H35N3O4S2 MW 577.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O4S2/c1-2-3-4-5-6-7-8-9-20-38-27-17-12-24(13-18-27)30(35)32-25-14-19-28-29(21-25)40-31(33-28)39-22-23-10-15-26(16-11-23)34(36)37/h10-19,21H,2-9,20,22H2,1H3,(H,32,35)InChIKey
BLFJLRRZNABQAV-UHFFFAOYSA-NSynonyms
4(decyloxy)N(2((4nitrobenzyl)sulfanyl)13benzothiazol6yl)benzamide
4DECOXYN(2((4NITROPHENYL)METHYLSULFANYL)13BENZOTHIAZOL6YL)BENZAMIDE
CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)(N+)(=O)(O)
CCCCCCCCCCOc1ccc(cc1)C(=O)Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC31H35N3O4S2c123456789203827171224(131827)30(35)322514192829(2125)4031(3328)392223101526(161123)34(36)37h101921H292022H21H3(H3235)
MFCD01203896
ZINC000098002649
ZINC98002649
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