Vitas-M small molecule compound

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

Catalog ID
STK697176
SMILES O=C(c1ccc(cc1)c1ccccc1)CSc1nnc(n1c1ccccc1)c1ccc(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 C32H29N3OS MW 503.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3OS/c1-32(2,3)27-20-18-26(19-21-27)30-33-34-31(35(30)28-12-8-5-9-13-28)37-22-29(36)25-16-14-24(15-17-25)23-10-6-4-7-11-23/h4-21H,22H2,1-3H3
InChIKey
GQPRMPPWDGJKGT-UHFFFAOYSA-N
Synonyms
861649-43-6
1((11biphenyl)4yl)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)ethanone
1(biphenyl4yl)2((5(4tertbutylphenyl)4phenyl4H124triazol3yl)sulfanyl)ethanone
1BIPHENYL4YL2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPHENYL)ETHANONE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPHENYL)ETHAN1ONE
2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))1(4PHENYLPHENYL)ETHAN1ONE
861649436
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5
InChI=1SC32H29N3OSc132(23)27201826(192127)30333431(35(30)28128591328)372229(36)25161424(151725)23106471123h421H22H213H3
MFCD04670803
ZINC000009309235
ZINC09309235
ZINC9309235

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Available files

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