Vitas-M small molecule compound
3-[(4-tert-butylphenoxy)methyl]-5-({[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK465627
SMILES C=CCn1c(nnc1COc1ccc(cc1)C(C)(C)C)SCc1csc(n1)c1ccccc1C
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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 C27H30N4OS2 MW 490.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4OS2/c1-6-15-31-24(16-32-22-13-11-20(12-14-22)27(3,4)5)29-30-26(31)34-18-21-17-33-25(28-21)23-10-8-7-9-19(23)2/h6-14,17H,1,15-16,18H2,2-5H3InChIKey
FYPMDDHGFOCKPY-UHFFFAOYSA-NSynonyms
3((4tertbutylphenoxy)methyl)5(((2(2methylphenyl)13thiazol4yl)methyl)sulfanyl)4(prop2en1yl)4H124triazole
4((5((4tertbutylphenoxy)methyl)4prop2enyl124triazol3yl)sulfanylmethyl)2(2methylphenyl)13thiazole
4(TERTBUTYL)1((5((2(2METHYLPHENYL)(13THIAZOL4YL))METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))METHOXY)BENZENE
CC1=CC=CC=C1C2=NC(=CS2)CSC3=NN=C(N3CC=C)COC4=CC=C(C=C4)C(C)(C)C
InChI=1SC27H30N4OS2c16153124(163222131120(121422)27(34)5)293026(31)341821173325(2821)231087919(23)2h61417H1151618H225H3
MFCD06138880
ZINC000020419160
ZINC20419160
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