Vitas-M small molecule compound
4-(5-oxo-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl benzoate
Catalog ID
STK133839
SMILES O=C(c1ccccc1)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 C29H19NO3S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19NO3S/c31-27-22-11-5-4-10-21(22)26-25(27)28(34-24-13-7-6-12-23(24)30-26)18-14-16-20(17-15-18)33-29(32)19-8-2-1-3-9-19/h1-17,28,30HInChIKey
IPSJCNKJXWILFY-UHFFFAOYSA-NSynonyms
(4(12OXO511DIHYDROINDENO(21C)(15)BENZOTHIAZEPIN11YL)PHENYL)BENZOATE
4(12OXO5H11HBENZO(B)INDENO(32E)14THIAZEPIN11YL)PHENYLBENZOATE
4(5OXO612DIHYDRO5HBENZO(B)INDENO(12E)(14)THIAZEPIN6YL)PHENYLBENZOATE
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3C4=C(C5=CC=CC=C5C4=O)NC6=CC=CC=C6S3
InChI=1SC29H19NO3Sc31272211541021(22)2625(27)28(342413761223(24)3026)18141620(171518)3329(32)198213919h1172830H
MFCD03190559
ZINC000009850666
ZINC000009850667
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