Vitas-M small molecule compound
(2E)-N-{[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-phenylprop-2-enamide
Catalog ID
STK236192
SMILES COc1ccc(cc1Br)c1oc2c(n1)cc(cc2)NC(=S)NC(=O)/C=C/c1ccccc1
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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 C24H18BrN3O3S MW 508.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18BrN3O3S/c1-30-20-10-8-16(13-18(20)25)23-27-19-14-17(9-11-21(19)31-23)26-24(32)28-22(29)12-7-15-5-3-2-4-6-15/h2-14H,1H3,(H2,26,28,29,32)/b12-7+InChIKey
RMIVQLZEHRMWIC-KPKJPENVSA-NSynonyms
(2E)N((2(3BROMO4METHOXYPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
(E)N((2(3BROMO4METHOXYPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C=CC4=CC=CC=C4)Br
COc1ccc(cc1Br)c1oc2c(n1)cc(cc2)NC(=S)NC(=O)C=Cc1ccccc1
InChI=1SC24H18BrN3O3Sc1302010816(1318(20)25)2327191417(91121(19)3123)2624(32)2822(29)127155324615h214H1H3(H226282932)b127+
MFCD03909512
ZINC000006297114
ZINC06297114
ZINC6297114
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