Vitas-M small molecule compound
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoate
Catalog ID
STK689666
SMILES O=C(Nc1ccc2c(c1)OCCO2)COC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N
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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 C22H20ClN3O8S MW 521.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O8S/c23-16-10-17(25-11-14-2-1-5-31-14)15(9-20(16)35(24,29)30)22(28)34-12-21(27)26-13-3-4-18-19(8-13)33-7-6-32-18/h1-5,8-10,25H,6-7,11-12H2,(H,26,27)(H2,24,29,30)InChIKey
GSGFCMJGYNNAMR-UHFFFAOYSA-NSynonyms
(2(23dihydro14benzodioxin6ylamino)2oxoethyl)4chloro2(furan2ylmethylamino)5sulfamoylbenzoate
2(23dihydro14benzodioxin6ylamino)2oxoethyl4chloro2((furan2ylmethyl)amino)5sulfamoylbenzoate
C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=CC(=C(C=C3NCC4=CC=CO4)Cl)S(=O)(=O)N
InChI=1SC22H20ClN3O8Sc23161017(2511142153114)15(920(16)35(2429)30)22(28)341221(27)2613341819(813)33763218h1581025H671112H2(H2627)(H2242930)
MFCD09062542
ZINC000100224358
ZINC100224358
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