Vitas-M small molecule compound
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-({5-[(2,6-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK219223
SMILES C=CCn1c(SCC(=O)Nc2nnc(s2)C2CC2)nnc1COc1c(C)cccc1C
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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 C21H24N6O2S2 MW 456.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N6O2S2/c1-4-10-27-16(11-29-18-13(2)6-5-7-14(18)3)23-26-21(27)30-12-17(28)22-20-25-24-19(31-20)15-8-9-15/h4-7,15H,1,8-12H2,2-3H3,(H,22,25,28)InChIKey
QYKKMMOBACQVGZ-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)NC3=NN=C(S3)C4CC4
InChI=1SC21H24N6O2S2c14102716(11291813(2)65714(18)3)232621(27)301217(28)2220252419(3120)158915h4715H1812H223H3(H222528)
MFCD08673445
N(5CYCLOPROPYL134THIADIAZOL2YL)2((5((26DIMETHYLPHENOXY)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(5cyclopropyl134thiadiazol2yl)2((5((26dimethylphenoxy)methyl)4prop2enyl124triazol3yl)sulfanyl)acetamide
ZINC000009302502
ZINC09302502
ZINC9302502
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