Vitas-M small molecule compound
4-ethoxy-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK163639
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(cc1)c1nc2c(s1)cc(cc2)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 C24H20N4O4S2 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O4S2/c1-3-32-20-11-7-16(13-19(20)28(30)31)22(29)27-24(33)25-17-8-5-15(6-9-17)23-26-18-10-4-14(2)12-21(18)34-23/h4-13H,3H2,1-2H3,(H2,25,27,29,33)InChIKey
MURLTSBSAYCKJY-UHFFFAOYSA-NSynonyms
4ETHOXYN((4(6METHYL13BENZOTHIAZOL2YL)PHENYL)CARBAMOTHIOYL)3NITROBENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C
InChI=1SC24H20N4O4S2c13322011716(1319(20)28(30)31)22(29)2724(33)25178515(6917)23261810414(2)1221(18)3423h413H3H212H3(H225272933)
MFCD02820680
ZINC000002937504
ZINC02937504
ZINC2937504
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