Vitas-M small molecule compound
N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-3-(7-methoxy-4-methyl-2-oxo-2H-chromen-6-yl)propanamide
Catalog ID
STK632894
SMILES COc1cc2oc(=O)cc(c2cc1CCC(=O)/N=c\1/sc2c([nH]1)cccc2)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 C21H18N2O4S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4S/c1-12-9-20(25)27-17-11-16(26-2)13(10-14(12)17)7-8-19(24)23-21-22-15-5-3-4-6-18(15)28-21/h3-6,9-11H,7-8H2,1-2H3,(H,22,23,24)InChIKey
LSIBXYYMKDPQHD-UHFFFAOYSA-NSynonyms
1010896-41-91010896419
CC1=CC(=O)OC2=CC(=C(C=C12)CCC(=O)NC3=NC4=CC=CC=C4S3)OC
COc1cc2oc(=O)cc(c2cc1CCC(=O)N=c1sc2c((nH)1)cccc2)C
InChI=1SC21H18N2O4Sc112920(25)27171116(262)13(1014(12)17)7819(24)23212215534618(15)2821h36911H78H212H3(H222324)
MFCD18159923
N((2E)13benzothiazol2(3H)ylidene)3(7methoxy4methyl2oxo2Hchromen6yl)propanamide
N(13benzothiazol2yl)3(7methoxy4methyl2oxochromen6yl)propanamide
ZINC000012389447
ZINC12389447
ZINC49937127
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