Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STL299144
SMILES C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)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 C25H28N4O3S MW 464.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O3S/c1-5-12-29-23(17-6-8-18(9-7-17)25(2,3)4)27-28-24(29)33-16-22(30)26-19-10-11-20-21(15-19)32-14-13-31-20/h5-11,15H,1,12-14,16H2,2-4H3,(H,26,30)InChIKey
CNRNVJKLQZYOAI-UHFFFAOYSA-NSynonyms
765281-87-62((4allyl5(4(tertbutyl)phenyl)4H124triazol3yl)thio)N(23dihydrobenzo(b)(14)dioxin6yl)acetamide
2((5(4tertbutylphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
2((5(4TERTBUTYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(23DIHYDRO14BENZODIOXIN6YL)ACETAMIDE
765281876
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC4=C(C=C3)OCCO4
InChI=1SC25H28N4O3Sc15122923(176818(9717)25(23)4)272824(29)331622(30)261910112021(1519)3214133120h51115H1121416H224H3(H2630)
MFCD05678122
N(2H3HBENZO(34E)14DIOXIN6YL)2(5(4(TERTBUTYL)PHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002444531
ZINC02444531
ZINC2444531
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