Vitas-M small molecule compound
N-{2-[(4-bromobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-nitrobenzamide
Catalog ID
STK759143
SMILES Brc1ccc(cc1)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1[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 C21H14BrN3O3S2 MW 500.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrN3O3S2/c22-14-7-5-13(6-8-14)12-29-21-24-17-10-9-15(11-19(17)30-21)23-20(26)16-3-1-2-4-18(16)25(27)28/h1-11H,12H2,(H,23,26)InChIKey
CDYGBCJYZCUHMN-UHFFFAOYSA-NSynonyms
Brc1ccc(cc1)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1(N+)(=O)(O)
C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)Br)(N+)(=O)(O)
InChI=1SC21H14BrN3O3S2c22147513(6814)122921241710915(1119(17)3021)2320(26)16312418(16)25(27)28h111H12H2(H2326)
MFCD01205170
N(2((4bromobenzyl)sulfanyl)13benzothiazol6yl)2nitrobenzamide
N(2((4BROMOPHENYL)METHYLSULFANYL)13BENZOTHIAZOL6YL)2NITROBENZAMIDE
N(2((4BROMOPHENYL)METHYLTHIO)BENZOTHIAZOL6YL)(2NITROPHENYL)CARBOXAMIDE
ZINC000003667475
ZINC03667475
ZINC3667475
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