Vitas-M small molecule compound
(2E)-N-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl]-3-(4-tert-butylphenyl)prop-2-enamide
Catalog ID
STL113329
SMILES O=C(N[C@@H]1C[C@H]2C[C@@H]1CC2)/C=C/c1ccc(cc1)C(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 C20H27NO MW 297.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO/c1-20(2,3)17-9-5-14(6-10-17)7-11-19(22)21-18-13-15-4-8-16(18)12-15/h5-7,9-11,15-16,18H,4,8,12-13H2,1-3H3,(H,21,22)/b11-7+/t15-,16+,18+/m0/s1InChIKey
KQKCRBKHPMTCFT-XMPGPQGRSA-NSynonyms
(2E)N((1R2R4S)bicyclo(221)hept2yl)3(4tertbutylphenyl)prop2enamide
(E)N((1R3R4S)3BICYCLO(221)HEPTANYL)3(4TERTBUTYLPHENYL)PROP2ENAMIDE
CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2CC3CCC2C3
InChI=1SC20H27NOc120(23)179514(61017)71119(22)211813154816(18)1215h57911151618H481213H213H3(H2122)b117+t1516+18m1s1
MFCD20731884
O=C(N(C@@H)1C(C@H)2C(C@@H)1CC2)C=Cc1ccc(cc1)C(C)(C)C
ZINC000004872841
ZINC01107010
ZINC1107010
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