Vitas-M small molecule compound

N'-{(E)-[4-(diethylamino)phenyl]methylidene}-2-{[5-{[(4-iodophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Catalog ID
STL171367
SMILES CCN(c1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1CC=C)CNc1ccc(cc1)I)CC

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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 C25H30IN7OS MW 603.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30IN7OS/c1-4-15-33-23(17-27-21-11-9-20(26)10-12-21)29-31-25(33)35-18-24(34)30-28-16-19-7-13-22(14-8-19)32(5-2)6-3/h4,7-14,16,27H,1,5-6,15,17-18H2,2-3H3,(H,30,34)/b28-16+
InChIKey
YIHCWQSEMXQHAB-LQKURTRISA-N
Synonyms

CCN(c1ccc(cc1)C=NNC(=O)CSc1nnc(n1CC=C)CNc1ccc(cc1)I)CC
CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2CC=C)CNC3=CC=C(C=C3)I
InChI=1SC25H30IN7OSc14153323(17272111920(26)101221)293125(33)351824(34)3028161971322(14819)32(52)63h47141627H156151718H223H3(H3034)b2816+
MFCD01433320
N((E)(4(diethylamino)phenyl)methylidene)2((5(((4iodophenyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)(4(diethylamino)phenyl)methylideneamino)2((5((4iodoanilino)methyl)4prop2enyl124triazol3yl)sulfanyl)acetamide
ZINC000098045848
ZINC103248379

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Available files

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