Vitas-M small molecule compound
(2E)-N-[(6-chloro-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
Catalog ID
STK236633
SMILES O=C(NC(=S)Nc1cc2nn(nc2cc1Cl)c1ccccc1)/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 C26H17ClN6O4S MW 544.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17ClN6O4S/c27-19-14-21-22(31-32(30-21)16-6-2-1-3-7-16)15-20(19)28-26(38)29-25(34)13-11-17-10-12-24(37-17)18-8-4-5-9-23(18)33(35)36/h1-15H,(H2,28,29,34,38)/b13-11+InChIKey
HRAIWGAYERNSEX-ACCUITESSA-NSynonyms
(2E)N((6chloro2phenyl2Hbenzotriazol5yl)carbamothioyl)3(5(2nitrophenyl)furan2yl)prop2enamide
(E)N((6CHLORO2PHENYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)3(5(2NITROPHENYL)FURAN2YL)PROP2ENAMIDE
C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O)
InChI=1SC26H17ClN6O4Sc2719142122(3132(3021)166213716)1520(19)2826(38)2925(34)131117101224(3717)18845923(18)33(35)36h115H(H228293438)b1311+
MFCD05819614
O=C(NC(=S)Nc1cc2nn(nc2cc1Cl)c1ccccc1)C=Cc1ccc(o1)c1ccccc1(N+)(=O)(O)
ZINC000100393649
ZINC100393649
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