Vitas-M small molecule compound
3-(5-oxo-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl benzoate
Catalog ID
STK217841
SMILES O=C(c1ccccc1)Oc1cccc(c1)C1Sc2ccccc2NC2=C1C(=O)c1c2cccc1
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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 C29H19NO3S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19NO3S/c31-27-22-14-5-4-13-21(22)26-25(27)28(34-24-16-7-6-15-23(24)30-26)19-11-8-12-20(17-19)33-29(32)18-9-2-1-3-10-18/h1-17,28,30HInChIKey
PSAXRUZFAYUYCF-UHFFFAOYSA-NSynonyms
(3(12oxo511dihydroindeno(21c)(15)benzothiazepin11yl)phenyl)benzoate
3(12OXO5H11HBENZO(B)INDENO(32E)14THIAZEPIN11YL)PHENYLBENZOATE
3(5oxo612dihydro5Hbenzo(b)indeno(12e)(14)thiazepin6yl)phenylbenzoate
C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C3C4=C(C5=CC=CC=C5C4=O)NC6=CC=CC=C6S3
InChI=1SC29H19NO3Sc31272214541321(22)2625(27)28(342416761523(24)3026)191181220(1719)3329(32)1892131018h1172830H
MFCD07181041
ZINC000010059702
ZINC000010059703
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