Vitas-M small molecule compound
ethyl (2Z)-2-{amino[(phenylcarbonyl)amino]methylidene}-4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxobutanoate
Catalog ID
STK207140
SMILES CCOC(=O)/C(=C(\NC(=O)c1ccccc1)/N)/C(=O)CSc1nc2c(o1)cccc2
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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 C21H19N3O5S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5S/c1-2-28-20(27)17(18(22)24-19(26)13-8-4-3-5-9-13)15(25)12-30-21-23-14-10-6-7-11-16(14)29-21/h3-11H,2,12,22H2,1H3,(H,24,26)/b18-17-InChIKey
MRCSSZGZSRTUAL-ZCXUNETKSA-NSynonyms
CCOC(=O)C(=C(N)NC(=O)C1=CC=CC=C1)C(=O)CSC2=NC3=CC=CC=C3O2
CCOC(=O)C(=C(NC(=O)c1ccccc1)N)C(=O)CSc1nc2c(o1)cccc2
ethyl(2Z)2(amino((phenylcarbonyl)amino)methylidene)4(13benzoxazol2ylsulfanyl)3oxobutanoate
ethyl(2Z)2(amino(benzamido)methylidene)4(13benzoxazol2ylsulfanyl)3oxobutanoate
ETHYL(2Z)3AMINO2(2BENZOXAZOL2YLTHIOACETYL)3(PHENYLCARBONYLAMINO)PROP2ENOATE
InChI=1SC21H19N3O5Sc122820(27)17(18(22)2419(26)138435913)15(25)123021231410671116(14)2921h311H21222H21H3(H2426)b1817
MFCD06754487
ZINC000100430526
ZINC100430526
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