Vitas-M small molecule compound

ethyl 4-{[(2-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}hydrazinyl)carbonothioyl]amino}benzoate

Catalog ID
STK456413
SMILES CCOC(=O)c1ccc(cc1)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl

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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 C20H21ClN4O4S MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O4S/c1-2-29-19(28)13-7-9-14(10-8-13)22-20(30)25-24-18(27)12-11-17(26)23-16-6-4-3-5-15(16)21/h3-10H,2,11-12H2,1H3,(H,23,26)(H,24,27)(H2,22,25,30)
InChIKey
XPAPEQNWWLPCLC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl
ETHYL4((((3(N(2CHLOROPHENYL)CARBAMOYL)PROPANOYLAMINO)AMINO)THIOXOMETHYL)AMINO)BENZOATE
ethyl4(((2(4((2chlorophenyl)amino)4oxobutanoyl)hydrazinyl)carbonothioyl)amino)benzoate
ETHYL4(((4(2CHLOROANILINO)4OXOBUTANOYL)AMINO)CARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC20H21ClN4O4Sc122919(28)137914(10813)2220(30)252418(27)121117(26)2316643515(16)21h310H21112H21H3(H2326)(H2427)(H2222530)
MFCD05126370
ZINC000016345774
ZINC16345774

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Available files

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