Vitas-M small molecule compound

2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

Catalog ID
STK101316
SMILES COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)N/N=C/C=C\c1ccccc1[N+](=O)[O-]

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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 C26H21ClN6O4S MW 549.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN6O4S/c1-37-22-14-8-19(9-15-22)25-30-31-26(32(25)21-12-10-20(27)11-13-21)38-17-24(34)29-28-16-4-6-18-5-2-3-7-23(18)33(35)36/h2-16H,17H2,1H3,(H,29,34)/b6-4-,28-16+
InChIKey
AIABFNNZLIKKNE-KRAOFYOPSA-N
Synonyms

(E)2((4(4chlorophenyl)5(4methoxyphenyl)4H124triazol3yl)thio)N((E)3(2nitrophenyl)allylidene)acetohydrazide
2((4(4CHLOROPHENYL)5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((E)((Z)3(2NITROPHENYL)PROP2ENYLIDENE)AMINO)ACETAMIDE
2((4(4CHLOROPHENYL)5(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1E2Z)3(2NITROPHENYL)PROP2EN1YLIDENE)ACETOHYDRAZIDE
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NN=CC=CC4=CC=CC=C4(N+)(=O)(O)
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)NN=CC=Cc1ccccc1(N+)(=O)(O)
InChI=1SC26H21ClN6O4Sc1372214819(91522)25303126(32(25)21121020(27)111321)381724(34)2928164618523723(18)33(35)36h216H17H21H3(H2934)b642816+
MFCD02714520
ZINC000097939473
ZINC101504372

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Available files

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