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-(2,5-dimethylphenyl)acetamide
Catalog ID
STK231071
SMILES C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-4-9-26-21(16-7-8-18-19(11-16)29-13-28-18)24-25-22(26)30-12-20(27)23-17-10-14(2)5-6-15(17)3/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,23,27)InChIKey
NAFIVOJHTBKEAL-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(25dimethylphenyl)acetamide
2((5(13BENZODIOXOL5YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(25DIMETHYLPHENYL)ACETAMIDE
CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)OCO4
InChI=1SC22H22N4O3Sc1492621(16781819(1116)29132818)242522(26)301220(27)23171014(2)5615(17)3h481011H191213H223H3(H2327)
MFCD07791863
ZINC000009290072
ZINC09290072
ZINC9290072
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