Vitas-M small molecule compound
ethyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
Catalog ID
STK141396
SMILES CCCCOc1cccc(c1)C(=O)NC(=S)Nc1ccc(cc1)C(=O)OCC
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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 C21H24N2O4S MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S/c1-3-5-13-27-18-8-6-7-16(14-18)19(24)23-21(28)22-17-11-9-15(10-12-17)20(25)26-4-2/h6-12,14H,3-5,13H2,1-2H3,(H2,22,23,24,28)InChIKey
CQYNLROTCAGVDI-UHFFFAOYSA-NSynonyms
CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC
ETHYL4((((3BUTOXYPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
ETHYL4((3BUTOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC21H24N2O4Sc13513271886716(1418)19(24)2321(28)221711915(101217)20(25)2642h61214H3513H212H3(H222232428)
MFCD02918720
ZINC000002984149
ZINC02984149
ZINC2984149
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