Vitas-M small molecule compound
(2E)-N-{[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK347435
SMILES O=C(NC(=S)Nc1ccc2c(c1)nc(o2)c1cccc2c1cccc2Cl)/C=C/c1cccc(c1)[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 C27H17ClN4O4S MW 528.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17ClN4O4S/c28-22-9-3-6-19-20(22)7-2-8-21(19)26-30-23-15-17(11-12-24(23)36-26)29-27(37)31-25(33)13-10-16-4-1-5-18(14-16)32(34)35/h1-15H,(H2,29,31,33,37)/b13-10+InChIKey
CFHSMNDZEVFYRP-JLHYYAGUSA-NSynonyms
(2E)N((2(5chloronaphthalen1yl)13benzoxazol5yl)carbamothioyl)3(3nitrophenyl)prop2enamide
(E)N((2(5chloronaphthalen1yl)13benzoxazol5yl)carbamothioyl)3(3nitrophenyl)prop2enamide
C1=CC(=CC(=C1)(N+)(=O)(O))C=CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Cl
InChI=1SC27H17ClN4O4Sc28229361920(22)72821(19)2630231517(111224(23)3626)2927(37)3125(33)13101641518(1416)32(34)35h115H(H229313337)b1310+
MFCD03261103
O=C(NC(=S)Nc1ccc2c(c1)nc(o2)c1cccc2c1cccc2Cl)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000100297135
ZINC100297135
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