Vitas-M small molecule compound
(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 3,4-dimethoxybenzoate
Catalog ID
STK923308
SMILES COc1cc(ccc1OC)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccs1)/C2=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 C22H16O6S MW 408.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16O6S/c1-25-17-8-5-13(10-19(17)26-2)22(24)27-14-6-7-16-18(11-14)28-20(21(16)23)12-15-4-3-9-29-15/h3-12H,1-2H3/b20-12-InChIKey
DZLXJQAYABPFGS-NDENLUEZSA-NSynonyms
845900-94-9((2Z)3OXO2(THIOPHEN2YLMETHYLIDENE)1BENZOFURAN6YL)34DIMETHOXYBENZOATE
(2Z)3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6yl34dimethoxybenzoate
(Z)3oxo2(thiophen2ylmethylene)23dihydrobenzofuran6yl34dimethoxybenzoate
3OXO2(2THIENYLMETHYLENE)BENZO(34B)FURAN6YL34DIMETHOXYBENZOATE
845900949
COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=CS4)O3)OC
COc1cc(ccc1OC)C(=O)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O
InChI=1SC22H16O6Sc125178513(1019(17)262)22(24)2714671618(1114)2820(21(16)23)12154392915h312H12H3b2012
MFCD04172916
ZINC000005191707
ZINC05191707
ZINC5191707
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