Vitas-M small molecule compound
2-{[5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STL381594
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)Cl)Cc1ccccc1
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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 C25H21ClN4O3S MW 492.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O3S/c26-18-6-9-20(10-7-18)30-23(14-17-4-2-1-3-5-17)28-29-25(30)34-16-24(31)27-19-8-11-21-22(15-19)33-13-12-32-21/h1-11,15H,12-14,16H2,(H,27,31)InChIKey
ANSWARBRADVAIT-UHFFFAOYSA-NSynonyms
2((5BENZYL4(4CHLOROPHENYL)124TRIAZOL3YL)SULFANYL)N(23DIHYDRO14BENZODIOXIN6YL)ACETAMIDE
2((5benzyl4(4chlorophenyl)4H124triazol3yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)CC5=CC=CC=C5
InChI=1SC25H21ClN4O3Sc26186920(10718)3023(14174213517)282925(30)341624(31)27198112122(1519)3313123221h11115H121416H2(H2731)
MFCD06005387
ZINC000001056717
ZINC01056717
ZINC1056717
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