Vitas-M small molecule compound
4-(5-oxo-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl propanoate
Catalog ID
STK054016
SMILES CCC(=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 C25H19NO3S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19NO3S/c1-2-21(27)29-16-13-11-15(12-14-16)25-22-23(17-7-3-4-8-18(17)24(22)28)26-19-9-5-6-10-20(19)30-25/h3-14,25-26H,2H2,1H3InChIKey
GANCKFGXBNVLSQ-UHFFFAOYSA-NSynonyms
(4(12OXO511DIHYDROINDENO(21C)(15)BENZOTHIAZEPIN11YL)PHENYL)PROPANOATE
4(12OXO5H11HBENZO(B)INDENO(32E)14THIAZEPIN11YL)PHENYLPROPANOATE
4(5OXO612DIHYDRO5HBENZO(B)INDENO(12E)(14)THIAZEPIN6YL)PHENYLPROPANOATE
CCC(=O)OC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C3=O)NC5=CC=CC=C5S2
CCC(=O)Oc1ccc(cc1)C1Sc2ccccc2NC2=C1C(=O)c1c2cccc1
InChI=1SC25H19NO3Sc1221(27)2916131115(121416)252223(17734818(17)24(22)28)26199561020(19)3025h3142526H2H21H3
MFCD03190572
STK054016
ZINC000002999077
ZINC000002999078
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