Vitas-M small molecule compound
N'-[(E)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]-3-{4-[(2-chlorobenzyl)oxy]phenyl}-1H-pyrazole-5-carbohydrazide
Catalog ID
STK741251
SMILES ClCCN(c1ccc(cc1)/C=N/NC(=O)c1[nH]nc(c1)c1ccc(cc1)OCc1ccccc1Cl)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 C28H26Cl3N5O2 MW 570.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26Cl3N5O2/c29-13-15-36(16-14-30)23-9-5-20(6-10-23)18-32-35-28(37)27-17-26(33-34-27)21-7-11-24(12-8-21)38-19-22-3-1-2-4-25(22)31/h1-12,17-18H,13-16,19H2,(H,33,34)(H,35,37)/b32-18+InChIKey
ZWXHUHIKKVMZCZ-KCSSXMTESA-NSynonyms
(E)N(4(bis(2chloroethyl)amino)benzylidene)3(4((2chlorobenzyl)oxy)phenyl)1Hpyrazole5carbohydrazide
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC=C(C=C4)N(CCCl)CCCl)Cl
ClCCN(c1ccc(cc1)C=NNC(=O)c1(nH)nc(c1)c1ccc(cc1)OCc1ccccc1Cl)CCCl
InChI=1SC28H26Cl3N5O2c29131536(161430)239520(61023)18323528(37)271726(333427)2171124(12821)381922312425(22)31h1121718H131619H2(H3334)(H3537)b3218+
MFCD03662506
N((1E)2(4(BIS(2CHLOROETHYL)AMINO)PHENYL)1AZAVINYL)(3(4((2CHLOROPHENYL)METHOXY)PHENYL)PYRAZOL5YL)CARBOXAMIDE
N((E)(4(bis(2chloroethyl)amino)phenyl)methylidene)3(4((2chlorobenzyl)oxy)phenyl)1Hpyrazole5carbohydrazide
N((E)(4(bis(2chloroethyl)amino)phenyl)methylideneamino)3(4((2chlorophenyl)methoxy)phenyl)1Hpyrazole5carboxamide
ZINC000100847456
ZINC102653722
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