Vitas-M small molecule compound
N-{(1Z)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
Catalog ID
STL562514
SMILES O=C(N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C)CCn1c(=O)sc2c1cccc2
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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 C20H22N2O3S MW 370.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S/c1-11(17-14(23)10-12-18(17)20(12,2)3)21-16(24)8-9-22-13-6-4-5-7-15(13)26-19(22)25/h4-7,12,18H,8-10H2,1-3H3,(H,21,24)/b17-11+/t12-,18-/m1/s1InChIKey
RQKIJZQSBJWPJR-HATNZBPQSA-NSynonyms
7078893
InChI=1SC20H22N2O3Sc111(1714(23)101218(17)20(122)3)2116(24)892213645715(13)2619(22)25h471218H810H213H3(H2124)b1711+t1218m1s1
MFCD32651286
N((1Z)1((1S5R)66dimethyl3oxo2bicyclo(310)hexanylidene)ethyl)3(2oxo13benzothiazol3yl)propanamide
N((1Z)1((1S5R)66dimethyl3oxobicyclo(310)hex2ylidene)ethyl)3(2oxo13benzothiazol3(2H)yl)propanamide
N((Z)1((1S5R)66dimethyl3oxobicyclo(310)hexan2ylidene)ethyl)3(2oxobenzo(d)thiazol3(2H)yl)propanamide
O=C(NC(=C1C(=O)C(C@@H)2(C@H)1C2(C)C)C)CCn1c(=O)sc2c1cccc2
ZINC000100745861
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