Vitas-M small molecule compound
(2E)-N-{[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
Catalog ID
STK259075
SMILES S=C(Nc1cc(ccc1Cl)c1nc2c(o1)c(C)cc(c2)C)NC(=O)/C=C/c1ccc(o1)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 C29H21ClN4O5S MW 573.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN4O5S/c1-16-13-17(2)27-23(14-16)31-28(39-27)18-7-10-21(30)22(15-18)32-29(40)33-26(35)12-9-19-8-11-25(38-19)20-5-3-4-6-24(20)34(36)37/h3-15H,1-2H3,(H2,32,33,35,40)/b12-9+InChIKey
ZEDMSLHRRKDMOV-FMIVXFBMSA-NSynonyms
(2E)N((2chloro5(57dimethyl13benzoxazol2yl)phenyl)carbamothioyl)3(5(2nitrophenyl)furan2yl)prop2enamide
(E)N((2CHLORO5(57DIMETHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3(5(2NITROPHENYL)FURAN2YL)PROP2ENAMIDE
CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O))C
InChI=1SC29H21ClN4O5Sc1161317(2)2723(1416)3128(3927)1871021(30)22(1518)3229(40)3326(35)1291981125(3819)20534624(20)34(36)37h315H12H3(H232333540)b129+
MFCD06150442
S=C(Nc1cc(ccc1Cl)c1nc2c(o1)c(C)cc(c2)C)NC(=O)C=Cc1ccc(o1)c1ccccc1(N+)(=O)(O)
ZINC000100060139
ZINC100060139
Check stock
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