Vitas-M small molecule compound
2-(2,6-dimethylphenoxy)-N-[(4-methyl-5-{[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide
Catalog ID
STK119828
SMILES O=C(NCc1nnc(n1C)SCC(=O)Nc1ccc2c(c1)cccc2)COc1c(C)cccc1C
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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 C26H27N5O3S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3S/c1-17-7-6-8-18(2)25(17)34-15-23(32)27-14-22-29-30-26(31(22)3)35-16-24(33)28-21-12-11-19-9-4-5-10-20(19)13-21/h4-13H,14-16H2,1-3H3,(H,27,32)(H,28,33)InChIKey
GQWWNHYULKGLMI-UHFFFAOYSA-NSynonyms
2(26DIMETHYLPHENOXY)N((4METHYL5((2(NAPHTHALEN2YLAMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)ACETAMIDE
2(26DIMETHYLPHENOXY)N((4METHYL5(2(NAPHTHALEN2YLAMINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)ACETAMIDE
CC1=C(C(=CC=C1)C)OCC(=O)NCC2=NN=C(N2C)SCC(=O)NC3=CC4=CC=CC=C4C=C3
InChI=1SC26H27N5O3Sc11776818(2)25(17)341523(32)271422293026(31(22)3)351624(33)28211211199451020(19)1321h413H1416H213H3(H2732)(H2833)
MFCD03785017
ZINC000001008532
ZINC01008532
ZINC1008532
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