Vitas-M small molecule compound
4-(5-oxo-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl 4-methylbenzoate
Catalog ID
STK217843
SMILES Cc1ccc(cc1)C(=O)Oc1ccc(cc1)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 C30H21NO3S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21NO3S/c1-18-10-12-20(13-11-18)30(33)34-21-16-14-19(15-17-21)29-26-27(22-6-2-3-7-23(22)28(26)32)31-24-8-4-5-9-25(24)35-29/h2-17,29,31H,1H3InChIKey
YLVGXNSYWBDKEP-UHFFFAOYSA-NSynonyms
(4(12oxo511dihydroindeno(21c)(15)benzothiazepin11yl)phenyl)4methylbenzoate
4(12OXO5H11HBENZO(B)INDENO(32E)14THIAZEPIN11YL)PHENYL4METHYLBENZOATE
4(5oxo612dihydro5Hbenzo(b)indeno(12e)(14)thiazepin6yl)phenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3C4=C(C5=CC=CC=C5C4=O)NC6=CC=CC=C6S3
InChI=1SC30H21NO3Sc118101220(131118)30(33)3421161419(151721)292627(22623723(22)28(26)32)3124845925(24)3529h2172931H1H3
MFCD07181043
ZINC000010059706
ZINC000010059707
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