Vitas-M small molecule compound

2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide

Catalog ID
STK665003
SMILES O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1c1ccccc1)COc1ccc2c(c1)OCO2

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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 C27H26N4O4S MW 502.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4S/c1-18(2)19-8-10-20(11-9-19)28-26(32)16-36-27-30-29-25(31(27)21-6-4-3-5-7-21)15-33-22-12-13-23-24(14-22)35-17-34-23/h3-14,18H,15-17H2,1-2H3,(H,28,32)
InChIKey
KEAJKUYPEIVXER-UHFFFAOYSA-N
Synonyms

2((5((13benzodioxol5yloxy)methyl)4phenyl4H124triazol3yl)sulfanyl)N(4(propan2yl)phenyl)acetamide
2((5(13BENZODIOXOL5YLOXYMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(4PROPAN2YLPHENYL)ACETAMIDE
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC5=C(C=C4)OCO5
InChI=1SC27H26N4O4Sc118(2)1981020(11919)2826(32)163627302925(31(27)216435721)15332212132324(1422)35173423h31418H1517H212H3(H2832)
MFCD07658392
ZINC000012401740
ZINC12401740

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Available files

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