Vitas-M small molecule compound

5-fluoro-7'-(3-nitrophenyl)-6'-(phenylcarbonyl)-1',6',7',7a'-tetrahydrospiro[indole-3,5'-pyrrolo[1,2-c][1,3]thiazol]-2(1H)-one

Catalog ID
STL058036
SMILES Fc1ccc2c(c1)C1(C(=O)N2)N2CSCC2C(C1C(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

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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 C26H20FN3O4S MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20FN3O4S/c27-17-9-10-20-19(12-17)26(25(32)28-20)23(24(31)15-5-2-1-3-6-15)22(21-13-35-14-29(21)26)16-7-4-8-18(11-16)30(33)34/h1-12,21-23H,13-14H2,(H,28,32)
InChIKey
RLNBELBECOHQEU-UHFFFAOYSA-N
Synonyms

(3S)6benzoyl5fluoro7(3nitrophenyl)3677atetrahydro1Hspiro(indoline35pyrrolo(12c)thiazol)2one
5fluoro7(3nitrophenyl)6(phenylcarbonyl)1677atetrahydrospiro(indole35pyrrolo(12c)(13)thiazol)2(1H)one
6benzoyl5fluoro7(3nitrophenyl)spiro(1Hindole353677atetrahydro1Hpyrrolo(12c)(13)thiazole)2one
C1C2C(C(C3(N2CS1)C4=C(C=CC(=C4)F)NC3=O)C(=O)C5=CC=CC=C5)C6=CC(=CC=C6)(N+)(=O)(O)
Fc1ccc2c(c1)(C@@)1(C(=O)N2)N2CSCC2C(C1C(=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
Fc1ccc2c(c1)C1(C(=O)N2)N2CSCC2C(C1C(=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC26H20FN3O4Sc27179102019(1217)26(25(32)2820)23(24(31)155213615)22(2113351429(21)26)1674818(1116)30(33)34h1122123H1314H2(H2832)
MFCD18192889
ZINC000013540267
ZINC000230099316

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Available files

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