Vitas-M small molecule compound

2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Catalog ID
STL056033
SMILES COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc2c(c1)OCCO2

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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 C25H21ClN4O4S MW 508.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O4S/c1-32-20-4-2-3-16(13-20)24-28-29-25(30(24)19-8-5-17(26)6-9-19)35-15-23(31)27-18-7-10-21-22(14-18)34-12-11-33-21/h2-10,13-14H,11-12,15H2,1H3,(H,27,31)
InChIKey
ZKBSNOVTECOHTD-UHFFFAOYSA-N
Synonyms
849008-19-1
2((4(4CHLOROPHENYL)5(3METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N(23DIHYDRO14BENZODIOXIN6YL)ACETAMIDE
2((4(4chlorophenyl)5(3methoxyphenyl)4H124triazol3yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
2((4(4chlorophenyl)5(3methoxyphenyl)4H124triazol3yl)thio)N(23dihydrobenzo(b)(14)dioxin6yl)acetamide
849008191
COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC5=C(C=C4)OCCO5
InChI=1SC25H21ClN4O4Sc1322042316(1320)24282925(30(24)198517(26)6919)351523(31)27187102122(1418)3412113321h2101314H111215H21H3(H2731)
MFCD05537928
N(2H3HBENZO(34E)14DIOXIN6YL)2(4(4CHLOROPHENYL)5(3METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002450913
ZINC02450913
ZINC2450913

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Available files

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