Vitas-M small molecule compound
ethyl 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
Catalog ID
STK888148
SMILES CCOC(=O)c1oc2c(CN3CCCCCC3)c(O)c(cc2c(=O)c1c1nc2c(s1)cccc2)CC
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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 C28H30N2O5S MW 506.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O5S/c1-3-17-15-18-24(32)22(27-29-20-11-7-8-12-21(20)36-27)26(28(33)34-4-2)35-25(18)19(23(17)31)16-30-13-9-5-6-10-14-30/h7-8,11-12,15,31H,3-6,9-10,13-14,16H2,1-2H3InChIKey
LVKZLUJTNDJBMH-UHFFFAOYSA-NSynonyms
385394-74-1385394741
8(AZEPAN1IUM1YLMETHYL)3(13BENZOTHIAZOL2YL)2ETHOXYCARBONYL6ETHYL4OXOCHROMEN7OLATE
CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)C(NH+)5CCCCCC5)(O)
ETHYL8(AZAPERHYDROEPINYLMETHYL)3BENZOTHIAZOL2YL6ETHYL7HYDROXY4OXOCHROMENE2CARBOXYLATE
ethyl8(azepan1ylmethyl)3(13benzothiazol2yl)6ethyl7hydroxy4oxo4Hchromene2carboxylate
ETHYL8(AZEPAN1YLMETHYL)3(13BENZOTHIAZOL2YL)6ETHYL7HYDROXY4OXOCHROMENE2CARBOXYLATE
ethyl8(azepan1ylmethyl)3(benzo(d)thiazol2yl)6ethyl7hydroxy4oxo4Hchromene2carboxylate
InChI=1SC28H30N2O5Sc1317151824(32)22(27292011781221(20)3627)26(28(33)3442)3525(18)19(23(17)31)163013956101430h7811121531H36910131416H212H3
MFCD03285914
ZINC000001819999
ZINC1819999
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