Vitas-M small molecule compound

N'-[(E)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]-4,5-dihydro-2H-benzo[g]indazole-3-carbohydrazide

Catalog ID
STK593294
SMILES ClCCN(c1ccc(cc1)/C=N/NC(=O)c1[nH]nc2c1CCc1c2cccc1)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 C23H23Cl2N5O MW 456.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23Cl2N5O/c24-11-13-30(14-12-25)18-8-5-16(6-9-18)15-26-29-23(31)22-20-10-7-17-3-1-2-4-19(17)21(20)27-28-22/h1-6,8-9,15H,7,10-14H2,(H,27,28)(H,29,31)/b26-15+
InChIKey
CQPDLOZFYKIEDD-CVKSISIWSA-N
Synonyms

(E)N(4(bis(2chloroethyl)amino)benzylidene)45dihydro1Hbenzo(g)indazole3carbohydrazide
C1CC2=C(NN=C2C3=CC=CC=C31)C(=O)NN=CC4=CC=C(C=C4)N(CCCl)CCCl
ClCCN(c1ccc(cc1)C=NNC(=O)c1(nH)nc2c1CCc1c2cccc1)CCCl
ClCCN(c1ccc(cc1)C=NNC(=O)c1n(nH)c2c1CCc1c2cccc1)CCCl
InChI=1SC23H23Cl2N5Oc24111330(141225)188516(6918)15262923(31)222010717312419(17)21(20)272822h168915H71014H2(H2728)(H2931)b2615+
MFCD07209773
N((1E)2(4(BIS(2CHLOROETHYL)AMINO)PHENYL)1AZAVINYL)45DIHYDRO1HBENZO(G)INDAZOL3YLCARBOXAMIDE
N((E)(4(bis(2chloroethyl)amino)phenyl)methylidene)45dihydro2Hbenzo(g)indazole3carbohydrazide
N((E)(4(BIS(2CHLOROETHYL)AMINO)PHENYL)METHYLIDENEAMINO)45DIHYDRO2HBENZO(G)INDAZOLE3CARBOXAMIDE
ZINC000005402530
ZINC102612129

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.