Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-chlorobutanoate
Catalog ID
STK557944
SMILES ClCCCC(=O)Oc1ccc2c(c1)oc(c(c2=O)c1nc2c(s1)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 C21H16ClNO4S MW 413.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClNO4S/c1-12-19(21-23-15-5-2-3-6-17(15)28-21)20(25)14-9-8-13(11-16(14)26-12)27-18(24)7-4-10-22/h2-3,5-6,8-9,11H,4,7,10H2,1H3InChIKey
PQVWPKJCHRXIAY-UHFFFAOYSA-NSynonyms
577963-36-1(3(13BENZOTHIAZOL2YL)2METHYL4OXOCHROMEN7YL)4CHLOROBUTANOATE
3(13benzothiazol2yl)2methyl4oxo4Hchromen7yl4chlorobutanoate
3(benzo(d)thiazol2yl)2methyl4oxo4Hchromen7yl4chlorobutanoate
3BENZOTHIAZOL2YL2METHYL4OXOCHROMEN7YL4CHLOROBUTANOATE
577963361
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCCCl)C3=NC4=CC=CC=C4S3
InChI=1SC21H16ClNO4Sc11219(212315523617(15)2821)20(25)149813(1116(14)2612)2718(24)741022h23568911H4710H21H3
MFCD04028803
ZINC000002385357
ZINC02385357
ZINC2385357
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