Vitas-M small molecule compound
4-(5-{(E)-[3-(1-methoxy-1-oxopropan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
Catalog ID
STL015433
SMILES COC(=O)C(N1C(=O)S/C(=C/c2ccc(o2)c2ccc(cc2C)C(=O)O)/C1=O)C
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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 C20H17NO7S MW 415.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO7S/c1-10-8-12(18(23)24)4-6-14(10)15-7-5-13(28-15)9-16-17(22)21(20(26)29-16)11(2)19(25)27-3/h4-9,11H,1-3H3,(H,23,24)/b16-9+InChIKey
IQCWNKSLDUSIFD-CXUHLZMHSA-NSynonyms
(Z)4(5((3(1methoxy1oxopropan2yl)24dioxothiazolidin5ylidene)methyl)furan2yl)3methylbenzoicacid
4(5((E)(3(1methoxy1oxopropan2yl)24dioxo13thiazolidin5ylidene)methyl)furan2yl)3methylbenzoicacid
CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)C(C)C(=O)OC
COC(=O)C(N1C(=O)SC(=Cc2ccc(o2)c2ccc(cc2C)C(=O)O)C1=O)C
InChI=1SC20H17NO7Sc110812(18(23)24)4614(10)157513(2815)91617(22)21(20(26)2916)11(2)19(25)273h4911H13H3(H2324)b169+
MFCD04494099
ZINC000002396917
ZINC000002396919
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