Vitas-M small molecule compound
4-phenyl-2,3-dihydro-1,5-benzothiazepin-5-ium-2-carboxylate
Catalog ID
STL046159
SMILES [O-]C(=O)C1Sc2ccccc2[NH+]=C(C1)c1ccccc1
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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 C16H13NO2S MW 283.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO2S/c18-16(19)15-10-13(11-6-2-1-3-7-11)17-12-8-4-5-9-14(12)20-15/h1-9,15H,10H2,(H,18,19)InChIKey
BUHNCRFGISFTRP-UHFFFAOYSA-NSynonyms
116274-69-2(O)C(=O)C1Sc2ccccc2(NH+)=C(C1)c1ccccc1
116274692
4phenyl23dihydro15benzothiazepin5ium2carboxylate
4PHENYL23DIHYDRO15BENZOTHIAZEPINE2CARBOXYLICACID
4PHENYL23DIHYDROBENZO(B)(14)THIAZEPINE2CARBOXYLICACID
4PHENYL2H3HBENZO(B)14THIAZEPINE2CARBOXYLICACID
C1C(SC2=CC=CC=C2(NH+)=C1C3=CC=CC=C3)C(=O)(O)
InChI=1SC16H13NO2Sc1816(19)151013(116213711)1712845914(12)2015h1915H10H2(H1819)
MFCD00542915
ZINC000000187342
ZINC000000187345
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