Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,5-dimethoxyphenyl)ethanone

Catalog ID
STK095201
SMILES COc1ccc(cc1)n1c(nnc1c1ccc(cc1)C(C)(C)C)SCC(=O)c1cc(OC)ccc1OC

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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 C29H31N3O4S MW 517.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4S/c1-29(2,3)20-9-7-19(8-10-20)27-30-31-28(32(27)21-11-13-22(34-4)14-12-21)37-18-25(33)24-17-23(35-5)15-16-26(24)36-6/h7-17H,18H2,1-6H3
InChIKey
HGHMVNCAPDUQDW-UHFFFAOYSA-N
Synonyms
499103-04-7
1(25DIMETHOXYPHENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)1(25dimethoxyphenyl)ethanone
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1(25DIMETHOXYPHENYL)ETHANONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1(25DIMETHOXYPHENYL)ETHAN1ONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1(25DIMETHOXYPHENYL)ETHANONE
499103047
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C4=C(C=CC(=C4)OC)OC
COc1ccc(cc1)n1c(nnc1c1ccc(cc1)C(C)(C)C)SCC(=O)c1cc(OC)ccc1OC
InChI=1SC29H31N3O4Sc129(23)209719(81020)27303128(32(27)21111322(344)141221)371825(33)241723(355)151626(24)366h717H18H216H3
MFCD03223961
STK095201
ZINC000001831882
ZINC01831882
ZINC1831882

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Available files

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