Vitas-M small molecule compound
tert-butyl (3E)-4-oxo-3-(pyrrolidin-2-ylidene)-3,4,7,8-tetrahydro-6H-pyrrolo[2,1-c][1,4]thiazine-1-carboxylate 2,2-dioxide
Catalog ID
STL096145
SMILES O=C(C1=C2CCCN2C(=O)/C(=C\2/CCCN2)/S1(=O)=O)OC(C)(C)C
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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 C16H22N2O5S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O5S/c1-16(2,3)23-15(20)13-11-7-5-9-18(11)14(19)12(24(13,21)22)10-6-4-8-17-10/h17H,4-9H2,1-3H3/b12-10+InChIKey
IJIYDGGJFXWIJR-ZRDIBKRKSA-NSynonyms
CC(C)(C)OC(=O)C1=C2CCCN2C(=O)C(=C3CCCN3)S1(=O)=O
InChI=1SC16H22N2O5Sc116(23)2315(20)131175918(11)14(19)12(24(1321)22)106481710h17H49H213H3b1210+
MFCD18788411
O=C(C1=C2CCCN2C(=O)C(=C2CCCN2)S1(=O)=O)OC(C)(C)C
tertbutyl(3E)224trioxo3pyrrolidin2ylidene78dihydro6Hpyrrolo(21c)(14)thiazine1carboxylate
tertbutyl(3E)4oxo3(pyrrolidin2ylidene)3478tetrahydro6Hpyrrolo(21c)(14)thiazine1carboxylate22dioxide
ZINC000067244900
ZINC67244900
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