Vitas-M small molecule compound

2-{[5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

Catalog ID
STK468070
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)OC)nnc1c1cc(Cl)ccc1OC

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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 C21H21ClN4O3S MW 444.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O3S/c1-4-10-26-20(17-11-14(22)8-9-18(17)29-3)24-25-21(26)30-13-19(27)23-15-6-5-7-16(12-15)28-2/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)
InChIKey
RDGJXEBDDKRYGL-UHFFFAOYSA-N
Synonyms

2((5(5chloro2methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(3methoxyphenyl)acetamide
2((5(5chloro2methoxyphenyl)4prop2enyl124triazol3yl)sulfanyl)N(3methoxyphenyl)acetamide
2(5(5CHLORO2METHOXYPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))N(3METHOXYPHENYL)ACETAMIDE
COC1=C(C=C(C=C1)Cl)C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)OC
InChI=1SC21H21ClN4O3Sc14102620(171114(22)8918(17)293)242521(26)301319(27)231565716(1215)282h491112H11013H223H3(H2327)
MFCD06173840
ZINC000019642585
ZINC19642585

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Available files

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