Vitas-M small molecule compound

2-({[5-(1-benzofuran-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one

Catalog ID
STL122454
SMILES O=c1[nH]c(CSc2nnc(n2C(C)C)c2cc3c(o2)cccc3)nc2c1cccc2

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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 C22H19N5O2S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O2S/c1-13(2)27-20(18-11-14-7-3-6-10-17(14)29-18)25-26-22(27)30-12-19-23-16-9-5-4-8-15(16)21(28)24-19/h3-11,13H,12H2,1-2H3,(H,23,24,28)
InChIKey
XEYDDMAWPJVXCS-UHFFFAOYSA-N
Synonyms

2(((5(1benzofuran2yl)4(propan2yl)4H124triazol3yl)sulfanyl)methyl)quinazolin4(3H)one
2((5(1benzofuran2yl)4propan2yl124triazol3yl)sulfanylmethyl)1Hquinazolin4one
CC(C)N1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=CC=CC=C5O4
InChI=1SC22H19N5O2Sc113(2)2720(1811147361017(14)2918)252622(27)3012192316954815(16)21(28)2419h31113H12H212H3(H232428)
MFCD18434654
O=c1(nH)c(CSc2nnc(n2C(C)C)c2cc3c(o2)cccc3)nc2c1cccc2
ZINC000009595081
ZINC09595081
ZINC9595081

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Available files

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