Vitas-M small molecule compound
N-{2-[(2E)-2-{1-[(3aS,4R,9bR)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylidene}hydrazinyl]-2-oxoethyl}-N-(2-nitrophenyl)benzenesulfonamide (non-preferred name)
Catalog ID
STK393033
SMILES O=C(CN(S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-])N/N=C(/c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1ccc(cc1)F)\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 C34H30FN5O5S MW 639.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30FN5O5S/c1-22(24-16-19-30-29(20-24)27-10-7-11-28(27)34(36-30)23-14-17-25(35)18-15-23)37-38-33(41)21-39(31-12-5-6-13-32(31)40(42)43)46(44,45)26-8-3-2-4-9-26/h2-10,12-20,27-28,34,36H,11,21H2,1H3,(H,38,41)/b37-22+/t27-,28+,34+/m1/s1InChIKey
QSIKETLMFYAUIR-BXUVSBEQSA-NSynonyms
CC(=NNC(=O)CN(C1=CC=CC=C1(N+)(=O)(O))S(=O)(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)NC(C5C4C=CC5)C6=CC=C(C=C6)F
InChI=1SC34H30FN5O5Sc122(2416193029(2024)271071128(27)34(3630)23141725(35)181523)373833(41)2139(3112561332(31)40(42)43)46(4445)268324926h210122027283436H1121H21H3(H3841)b3722+t2728+34+m1s1
MFCD13368853
N((E)1((3aS4R9bR)4(4fluorophenyl)3a459btetrahydro3Hcyclopenta(c)quinolin8yl)ethylideneamino)2(N(benzenesulfonyl)2nitroanilino)acetamide
N(2((2E)2(1((3AS4R9BR)4(4FLUOROPHENYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLIN8YL)ETHYLIDENE)HYDRAZINYL)2OXOETHYL)N(2NITROPHENYL)BENZENESULFONAMIDE(NONPREFERREDNAME)
O=C(CN(S(=O)(=O)c1ccccc1)c1ccccc1(N+)(=O)(O))NN=C(c1ccc2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1ccc(cc1)F)C
ZINC000150420642
ZINC150687332
Check stock
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