Vitas-M small molecule compound

methyl 4-[(4Z)-4-{4-[bis(2-chloroethyl)amino]benzylidene}-3,5-dioxopyrazolidin-1-yl]benzoate

Catalog ID
STL432013
SMILES ClCCN(c1ccc(cc1)/C=C\1/C(=O)NN(C1=O)c1ccc(cc1)C(=O)OC)CCCl

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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 C22H21Cl2N3O4 MW 462.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2N3O4/c1-31-22(30)16-4-8-18(9-5-16)27-21(29)19(20(28)25-27)14-15-2-6-17(7-3-15)26(12-10-23)13-11-24/h2-9,14H,10-13H2,1H3,(H,25,28)/b19-14-
InChIKey
SENBJBGEXLRNPF-RGEXLXHISA-N
Synonyms

ClCCN(c1ccc(cc1)C=C1C(=O)NN(C1=O)c1ccc(cc1)C(=O)OC)CCCl
COC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)N(CCCl)CCCl)C(=O)N2
InChI=1SC22H21Cl2N3O4c13122(30)164818(9516)2721(29)19(20(28)2527)14152617(7315)26(121023)131124h2914H1013H21H3(H2528)b1914
METHYL4((4Z)4((4(BIS(2CHLOROETHYL)AMINO)PHENYL)METHYLIDENE)35DIOXOPYRAZOLIDIN1YL)BENZOATE
methyl4((4Z)4(4(bis(2chloroethyl)amino)benzylidene)35dioxopyrazolidin1yl)benzoate
METHYL4(4(4(BIS(2CHLOROETHYL)AMINO)BENZYLIDENE)35DIOXO1PYRAZOLIDINYL)BENZOATE
MFCD02951155
ZINC000008453616
ZINC08453616
ZINC8453616

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Available files

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