Vitas-M small molecule compound
methyl 3-chloro-6-{[(2-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}hydrazinyl)carbonothioyl]amino}-1-benzothiophene-2-carboxylate
Catalog ID
STK462677
SMILES COC(=O)c1sc2c(c1Cl)ccc(c2)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 C21H18Cl2N4O4S2 MW 525.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N4O4S2/c1-31-20(30)19-18(23)12-7-6-11(10-15(12)33-19)24-21(32)27-26-17(29)9-8-16(28)25-14-5-3-2-4-13(14)22/h2-7,10H,8-9H2,1H3,(H,25,28)(H,26,29)(H2,24,27,32)InChIKey
NOLZPXICDLQFPR-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)CCC(=O)NC3=CC=CC=C3Cl)Cl
InChI=1SC21H18Cl2N4O4S2c13120(30)1918(23)127611(1015(12)3319)2421(32)272617(29)9816(28)2514532413(14)22h2710H89H21H3(H2528)(H2629)(H2242732)
METHYL3CHLORO6((((3(N(2CHLOROPHENYL)CARBAMOYL)PROPANOYLAMINO)AMINO)THIOXOMETHYL)AMINO)BENZO(B)THIOPHENE2CARBOXYLATE
methyl3chloro6(((2(4((2chlorophenyl)amino)4oxobutanoyl)hydrazinyl)carbonothioyl)amino)1benzothiophene2carboxylate
METHYL3CHLORO6(((2(4((2CHLOROPHENYL)AMINO)4OXOBUTANOYL)HYDRAZINYL)CARBOTHIOYL)AMINO)1BENZOTHIOPHENE2CARBOXYLATE
METHYL3CHLORO6(((4(2CHLOROANILINO)4OXOBUTANOYL)AMINO)CARBAMOTHIOYLAMINO)1BENZOTHIOPHENE2CARBOXYLATE
MFCD04137399
ZINC000002852758
ZINC2852758
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