Vitas-M small molecule compound

N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

Catalog ID
STL056712
SMILES O=C(C12CCC(C2(C)C)(C(=O)C1Br)C)/N=c\1/sc2c([nH]1)cccc2

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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 C18H19BrN2O2S MW 407.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19BrN2O2S/c1-16(2)17(3)8-9-18(16,12(19)13(17)22)14(23)21-15-20-10-6-4-5-7-11(10)24-15/h4-7,12H,8-9H2,1-3H3,(H,20,21,23)
InChIKey
RZYBYUYOELJJRM-UHFFFAOYSA-N
Synonyms
1005040-02-7
(1S2S4R)N(13BENZOTHIAZOL2YL)2BROMO477TRIMETHYL3OXOBICYCLO(221)HEPTANE1CARBOXAMIDE
1005040027
CC1(C2(CCC1(C(C2=O)Br)C(=O)NC3=NC4=CC=CC=C4S3)C)C
InChI=1SC18H19BrN2O2Sc116(2)17(3)8918(1612(19)13(17)22)14(23)21152010645711(10)2415h4712H89H213H3(H202123)
MFCD05730502
N((2E)13benzothiazol2(3H)ylidene)2bromo477trimethyl3oxobicyclo(221)heptane1carboxamide
N(13BENZOTHIAZOL2YL)3BROMO177TRIMETHYL2OXOBICYCLO(221)HEPTANE4CARBOXAMIDE
NBENZOTHIAZOL2YL(2BROMO477TRIMETHYL3OXOBICYCLO(221)HEPTYL)CARBOXAMIDE
O=C(C12CCC(C2(C)C)(C(=O)C1Br)C)N=c1sc2c((nH)1)cccc2
ZINC000009349932
ZINC000017246113

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Available files

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