Vitas-M small molecule compound
6-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)hexanamide
Catalog ID
STL035497
SMILES CCc1nnc(s1)NC(=O)CCCCCN1C(=S)S/C(=C/c2ccc3c(c2)OCO3)/C1=O
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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 C21H22N4O4S3 MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S3/c1-2-18-23-24-20(32-18)22-17(26)6-4-3-5-9-25-19(27)16(31-21(25)30)11-13-7-8-14-15(10-13)29-12-28-14/h7-8,10-11H,2-6,9,12H2,1H3,(H,22,24,26)/b16-11+InChIKey
WUEYQASQOGAEFI-LFIBNONCSA-NSynonyms
6((5E)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(5ETHYL134THIADIAZOL2YL)HEXANAMIDE
6((5E)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)N(5ethyl134thiadiazol2yl)hexanamide
CCC1=NN=C(S1)NC(=O)CCCCCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S
CCc1nnc(s1)NC(=O)CCCCCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
InChI=1SC21H22N4O4S3c1218232420(3218)2217(26)643592519(27)16(3121(25)30)1113781415(1013)29122814h781011H26912H21H3(H222426)b1611+
MFCD18192007
ZINC000032701785
ZINC32701785
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