Vitas-M small molecule compound

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

Catalog ID
STK055100
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)OC)OC)nnc1c1ccc(cc1)C(C)(C)C

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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)21-10-7-19(8-11-21)27-30-31-28(32(27)22-12-14-23(34-4)15-13-22)37-18-24(33)20-9-16-25(35-5)26(17-20)36-6/h7-17H,18H2,1-6H3
InChIKey
UBOVZWVBRNJBCG-UHFFFAOYSA-N
Synonyms
499103-03-6
1(34DIMETHOXYPHENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)1(34dimethoxyphenyl)ethanone
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHAN1ONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
499103036
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C4=CC(=C(C=C4)OC)OC
COc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)OC)OC)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC29H31N3O4Sc129(23)2110719(81121)27303128(32(27)22121423(344)151322)371824(33)2091625(355)26(1720)366h717H18H216H3
MFCD03223960
STK055100
ZINC000001748436
ZINC01748436
ZINC1748436

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Available files

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