Vitas-M small molecule compound

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

Catalog ID
STK600080
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

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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/c26-17-6-9-19(10-7-17)30-23(15-34-20-4-2-1-3-5-20)28-29-25(30)35-16-24(31)27-18-8-11-21-22(14-18)33-13-12-32-21/h1-11,14H,12-13,15-16H2,(H,27,31)
InChIKey
XQOODIWFVODHGI-UHFFFAOYSA-N
Synonyms
896071-49-1
2((4(4CHLOROPHENYL)5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)N(23DIHYDRO14BENZODIOXIN6YL)ACETAMIDE
2((4(4chlorophenyl)5(phenoxymethyl)4H124triazol3yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
2((4(4chlorophenyl)5(phenoxymethyl)4H124triazol3yl)thio)N(23dihydrobenzo(b)(14)dioxin6yl)acetamide
896071491
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)COC5=CC=CC=C5
InChI=1SC25H21ClN4O4Sc26176919(10717)3023(1534204213520)282925(30)351624(31)27188112122(1418)3313123221h11114H12131516H2(H2731)
MFCD06592105
N(2H3HBENZO(34E)14DIOXIN6YL)2(4(4CHLOROPHENYL)5(PHENOXYMETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002437035
ZINC02437035
ZINC2437035

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Available files

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