Vitas-M small molecule compound

3-{3-oxo-3-[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]propyl}-1,3-benzothiazol-2(3H)-one

Catalog ID
STL562501
SMILES Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)C(=O)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 C20H21N3O2S MW 367.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S/c1-11-17-14(10-12-18(17)20(12,2)3)23(21-11)16(24)8-9-22-13-6-4-5-7-15(13)26-19(22)25/h4-7,12,18H,8-10H2,1-3H3/t12-,18-/m1/s1
InChIKey
OWHJFFOIAGJQFZ-KZULUSFZSA-N
Synonyms
457050-07-6
1795677
3(3oxo3((2S4R)339trimethyl78diazatricyclo(430024)nona1(6)8dien7yl)propyl)13benzothiazol2one
3(3oxo3((3bS4aR)344trimethyl3b44a5tetrahydro1Hcyclopropa(34)cyclopenta(12c)pyrazol1yl)propyl)13benzothiazol2(3H)one
3(3oxo3((3bS4aR)344trimethyl3b44a5tetrahydro1Hcyclopropa(34)cyclopenta(12c)pyrazol1yl)propyl)benzo(d)thiazol2(3H)one
457050076
Cc1nn(c2c1(C@H)1(C@@H)(C2)C1(C)C)C(=O)CCn1c(=O)sc2c1cccc2
InChI=1SC20H21N3O2Sc1111714(101218(17)20(122)3)23(2111)16(24)892213645715(13)2619(22)25h471218H810H213H3t1218m1s1
MFCD32651278
ZINC000002139926

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Available files

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