Vitas-M small molecule compound

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

Catalog ID
STK950816
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1CC=C)COc1ccccc1

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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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-3-13-24-20(14-27-18-7-5-4-6-8-18)22-23-21(24)28-15-19(25)16-9-11-17(26-2)12-10-16/h3-12H,1,13-15H2,2H3
InChIKey
NMSPECUMIPMVLI-UHFFFAOYSA-N
Synonyms
352702-77-3
1(4METHOXYPHENYL)2((5(PHENOXYMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ETHAN1ONE
1(4methoxyphenyl)2((5(phenoxymethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)ethanone
1(4METHOXYPHENYL)2((5(PHENOXYMETHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(4METHOXYPHENYL)2(5(PHENOXYMETHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ETHAN1ONE
2((4allyl5(phenoxymethyl)4H124triazol3yl)thio)1(4methoxyphenyl)ethanone
352702773
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3
InChI=1SC21H21N3O3Sc13132420(1427187546818)222321(24)281519(25)1691117(262)121016h312H11315H22H3
MFCD01437728
ZINC000000998118
ZINC00998118
ZINC998118

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Available files

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