Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK048847
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1c1cccnc1

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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 C24H21N5O4S MW 475.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O4S/c1-2-31-19-8-6-18(7-9-19)29-23(16-4-3-11-25-13-16)27-28-24(29)34-14-22(30)26-17-5-10-20-21(12-17)33-15-32-20/h3-13H,2,14-15H2,1H3,(H,26,30)
InChIKey
QEFGBCKRUIRYMQ-UHFFFAOYSA-N
Synonyms
477331-29-6
477331296
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CN=CC=C5
CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1c1cccnc1
InChI=1SC24H21N5O4Sc1231198618(7919)2923(164311251316)272824(29)341422(30)26175102021(1217)33153220h313H21415H21H3(H2630)
MFCD03225116
N(13BENZODIOXOL5YL)2((4(4ETHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13benzodioxol5yl)2((4(4ethoxyphenyl)5pyridin3yl124triazol3yl)sulfanyl)acetamide
N(2H13BENZODIOXOL5YL)2((4(4ETHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2HBENZO(34D)13DIOXOLEN5YL)2(4(4ETHOXYPHENYL)5(3PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(BENZO(D)(13)DIOXOL5YL)2((4(4ETHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)THIO)ACETAMIDE
STK048847
ZINC000000949970
ZINC00949970
ZINC949970

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Available files

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