Vitas-M small molecule compound
(2E)-N-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK070087
SMILES S=C(Nc1cccc(c1)c1nc2c(o1)cc(cc2)C)NC(=O)/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 C24H18N4O4S MW 458.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O4S/c1-15-8-10-20-21(12-15)32-23(26-20)17-5-3-6-18(14-17)25-24(33)27-22(29)11-9-16-4-2-7-19(13-16)28(30)31/h2-14H,1H3,(H2,25,27,29,33)/b11-9+InChIKey
HSXUOVGNPXOXNI-PKNBQFBNSA-NSynonyms
(2E)N((3(6METHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3(3NITROPHENYL)PROP2ENAMIDE
(E)N((3(6METHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3(3NITROPHENYL)PROP2ENAMIDE
CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)C=CC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC24H18N4O4Sc1158102021(1215)3223(2620)1753618(1417)2524(33)2722(29)1191642719(1316)28(30)31h214H1H3(H225272933)b119+
MFCD03725641
S=C(Nc1cccc(c1)c1nc2c(o1)cc(cc2)C)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
STK070087
ZINC000009635859
ZINC09635859
ZINC9635859
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