Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Catalog ID
STK231058
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)OC)nnc1c1ccc2c(c1)OCO2
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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 C21H20N4O4S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S/c1-3-10-25-20(14-4-9-17-18(11-14)29-13-28-17)23-24-21(25)30-12-19(26)22-15-5-7-16(27-2)8-6-15/h3-9,11H,1,10,12-13H2,2H3,(H,22,26)InChIKey
KUGQBIKVPYXNQR-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(4methoxyphenyl)acetamide
2((5(13BENZODIOXOL5YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(4METHOXYPHENYL)ACETAMIDE
COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)OCO4
InChI=1SC21H20N4O4Sc13102520(14491718(1114)29132817)232421(25)301219(26)22155716(272)8615h3911H1101213H22H3(H2226)
MFCD07791850
ZINC000009290050
ZINC09290050
ZINC9290050
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