Vitas-M small molecule compound
4-{(5Z)-5-[(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Catalog ID
STK913379
SMILES OC(=O)CCCN1C(=S)S/C(=C\c2cc(C)c3c(c2)CC(O3)C)/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 C18H19NO4S2 MW 377.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO4S2/c1-10-6-12(8-13-7-11(2)23-16(10)13)9-14-17(22)19(18(24)25-14)5-3-4-15(20)21/h6,8-9,11H,3-5,7H2,1-2H3,(H,20,21)/b14-9-InChIKey
HLUARHNHXQOLRG-ZROIWOOFSA-NSynonyms
4((5Z)5((27dimethyl23dihydro1benzofuran5yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)butanoicacid
4((5Z)5((27dimethyl23dihydro1benzofuran5yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
CC1CC2=C(O1)C(=CC(=C2)C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C
InChI=1SC18H19NO4S2c110612(813711(2)2316(10)13)91417(22)19(18(24)2514)53415(20)21h68911H357H212H3(H2021)b149
MFCD07428333
OC(=O)CCCN1C(=S)SC(=Cc2cc(C)c3c(c2)CC(O3)C)C1=O
ZINC000012062565
ZINC000012062566
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