Vitas-M small molecule compound
N-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Catalog ID
STK516687
SMILES O=C(C1COc2c(O1)cccc2)Nc1nnc(s1)SC/C=C/c1ccccc1
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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 C20H17N3O3S2 MW 411.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O3S2/c24-18(17-13-25-15-10-4-5-11-16(15)26-17)21-19-22-23-20(28-19)27-12-6-9-14-7-2-1-3-8-14/h1-11,17H,12-13H2,(H,21,22,24)/b9-6+InChIKey
VRSZSJAMDQLWJH-RMKNXTFCSA-NSynonyms
C1C(OC2=CC=CC=C2O1)C(=O)NC3=NN=C(S3)SCC=CC4=CC=CC=C4
InChI=1SC20H17N3O3S2c2418(1713251510451116(15)2617)2119222320(2819)271269147213814h11117H1213H2(H212224)b96+
MFCD06002455
N(5(((2E)3phenylprop2en1yl)sulfanyl)134thiadiazol2yl)23dihydro14benzodioxine2carboxamide
N(5((E)3PHENYLPROP2ENYL)SULFANYL134THIADIAZOL2YL)23DIHYDRO14BENZODIOXINE3CARBOXAMIDE
O=C(C1COc2c(O1)cccc2)Nc1nnc(s1)SCC=Cc1ccccc1
ZINC000002871783
ZINC000002871785
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