Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK696990
SMILES C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1c1cccc(c1)OC
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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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-3-9-26-21(15-5-4-6-17(12-15)28-2)24-25-22(26)31-14-20(27)23-16-7-8-18-19(13-16)30-11-10-29-18/h3-8,12-13H,1,9-11,14H2,2H3,(H,23,27)InChIKey
RLHGBBVPZPPIRS-UHFFFAOYSA-NSynonyms
861635-02-12((4allyl5(3methoxyphenyl)4H124triazol3yl)thio)N(23dihydrobenzo(b)(14)dioxin6yl)acetamide
861635021
COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC4=C(C=C3)OCCO4
InChI=1SC22H22N4O4Sc1392621(1554617(1215)282)242522(26)311420(27)2316781819(1316)3011102918h381213H191114H22H3(H2327)
MFCD05685248
N(23dihydro14benzodioxin6yl)2((5(3methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
N(23DIHYDRO14BENZODIOXIN6YL)2((5(3METHOXYPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2H3HBENZO(34E)14DIOXIN6YL)2(5(3METHOXYPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009479071
ZINC09479071
ZINC9479071
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